Merge lp:~albertog/siesta/psml-chlocal into lp:siesta/psml-support
- psml-chlocal
- Merge into trunk-psml
Status: | Merged |
---|---|
Merged at revision: | 549 |
Proposed branch: | lp:~albertog/siesta/psml-chlocal |
Merge into: | lp:siesta/psml-support |
Diff against target: |
7877 lines (+6555/-916) 31 files modified
Pseudo/vnl-operator/psop.f90 (+4/-1) Src/Makefile (+4/-3) Src/atom.F (+315/-75) Src/hamann.f90 (+245/-0) Src/ncps/src/m_ncps_reader.f (+2/-0) Src/psoplib/src/flib_spline.f90 (+0/-257) Src/psoplib/src/m_interpol.F90 (+0/-189) Src/psoplib/src/m_localgen.f (+7/-304) Src/psoplib/src/m_psop.f90 (+1/-1) Src/psoplib/src/makefile (+1/-2) Tests/Pseudos/O.tm2-siesta-vnl.psml (+3212/-0) Tests/Pseudos/O.tm2.psml (+2677/-0) Tests/Pseudos/Si.soft-siesta-vnl.psml (+4/-3) Tests/Pseudos/Si.tm2.nrl.vnl.psml (+4/-3) Tests/fe-psml/fe-psml.pseudos (+1/-1) Tests/fe-psml/makefile (+1/-1) Tests/h2o-psml/h2o-psml.fdf (+24/-0) Tests/h2o-psml/h2o-psml.pseudos (+1/-0) Tests/h2o-psml/makefile (+6/-0) Tests/si64-psml-full/makefile (+1/-1) Tests/si64-psml-full/si64-psml-full.pseudos (+1/-1) Tests/si64-psml-sl/makefile (+1/-1) Tests/si64-psml-sl/si64-psml-sl.pseudos (+1/-1) Tests/si64-soft-psml-full/makefile (+1/-1) Tests/si64-soft-psml-full/si64-soft-psml-full.pseudos (+1/-2) Tests/si64-soft/makefile (+1/-1) Tests/si64-soft/si64-soft.pseudos (+1/-1) Tests/test.mk (+5/-3) Tests/test.psml.mk (+0/-46) Tests/test_tddft.mk (+29/-17) version.info (+4/-1) |
To merge this branch: | bzr merge lp:~albertog/siesta/psml-chlocal |
Related bugs: |
Reviewer | Review Type | Date Requested | Status |
---|---|---|---|
Javier Junquera | Approve | ||
Review via email: mp+317296@code.launchpad.net |
Commit message
Description of the change
New methods to get chlocal from PSML data. Test.mk update
* New methods and heuristics for chlocal handling
If the PSML file contains a 'local-charge' element, the data is obtained
using the libPSML function 'ps_LocalCharge
internal linear tables is estimated or obtained directly from an
annotation if present.
Since 'psop' writes a 'local-charge' element and (now) inserts the chlocal
cutoff annotation in 'local-potential', the chlocal data obtained from
a PSML file of ATOM/psop lineage is essentially identical to that produced
by a run of Siesta starting from semilocal potentials.
When the 'local-charge' element is not present, chlocal is obtained by
the calculation of the laplacian of Vlocal by finite differences,
using a routine by Don Hamann, and subsequent interpolation. The
chlocal cutoff is obtained by default as the point at which the tail
of Vlocal adopts the Coulomb form within a tolerance. A number of fdf
parameters (with prefix psml.chlocal) control the whole procedure, but
their default values should be appropriate for most cases (see the
code for more details). Minor numerical differences (coming from Ena)
from previous versions are to be expected.
(The code now uses the same tolerance (1.0e-5) for the Coulomb check
when printing the 'r*V+2*Z' cutoff)
* Streamlined pseudo file handling in test.mk
When an item in the name.pseudos file contains the extension .psf or
.psml, it is taken directly as a file name in
Tests/Pseudos. Otherwise, for backward compatibility, the .psf
extension is added.
* Updated test files for PSML runs (new psop version 1.0.1)
and added 'h2o-psml' test
* Print uuid of the PSML file at reading time in Siesta
* Psop now generates an annotation for the local-potential
element which stores the chlocal cutoff.
Unpacking the annotation is the preferred method to extract
chlocal from a psop-generated PSML file.
* The "chlocal-
from psoplib.
Alberto Garcia (albertog) wrote : | # |
Javier Junquera (javier-junquera) wrote : | # |
I have run trunk-597-
- Bulk Fe (GGA, non-linear core corrections)
- Bulk Al (LDA, without non-linear core corrections).
In three different modes for each system:
- Reading the psf
- Reading the PSML but generating the KB projector and local part in Siesta.
- Reading the PSML, including the KB projector and local part in the PSML file.
The results were exactly the same as the ones obtained before with the latest version of trunk-psml,
with only ONE exception:
Bulk Fe when the PSML includes the KB and the local part in the PSML file.
Using trunk-psml:
#Reading KB projs from Fe.psml file
#
#PSML: Kleinman-Bylander projectors:
# l= 0 rc= 3.055283 Ekb= 3.387904
# l= 1 rc= 3.172035 Ekb= 1.365322
# l= 2 rc= 2.799300 Ekb=-14.260262
# l= 3 rc= 3.293249 Ekb= -1.655710
Using trunk-597-
Reading KB projs from Fe psml data
PSML: Kleinman-Bylander projectors:
l= 0 rc= 3.055283 Ekb= 3.387904
l= 1 rc= 3.172035 Ekb= 1.365322
l= 2 rc= 2.799300 Ekb=-14.260262
l= 3 rc= 3.293249 Ekb= -1.655980
There are small differences in the Ekb for the f-channel that translates in small
differences in the total energy (of the order, in the worst case, of 30*10^-6 eV).
Bests,
Javier
>
> Javier,
>
> You might want to run a test for numerical differences before I merge.
>
> --
> https:/
> You are requested to review the proposed merge of lp:~albertog/siesta/psml-chlocal into lp:~siesta-pseudos-bases/siesta/trunk-psml.
Alberto Garcia (albertog) wrote : | # |
Hola, Javier,
Tus tests dan básicamente los mismos resultados porque has usado los mismos ficheros psml generados
por la versión anterior de psop.
En los de la nueva versión hay un campo nuevo (el cutoff de chlocal) que hace que los resultados
sean prácticamente idénticos entre las ejecuciones “sl only from psml” y “full-nl from psml”.
Para los psmls que vienen de oncvpsp los resultados deberían ser ligeramente diferentes a los anteriores.
Si quieres testear más en este branch puedes hacerlo. Pero cuando termines tienes que “aprobar” el merge
yendo a la página del “merge request” en Launchpad.
Saludos,
Alberto
> On 15 Feb 2017, at 18:30, Javier Junquera <email address hidden> wrote:
>
>
> I have run trunk-597-
>
> - Bulk Fe (GGA, non-linear core corrections)
> - Bulk Al (LDA, without non-linear core corrections).
>
> In three different modes for each system:
>
> - Reading the psf
> - Reading the PSML but generating the KB projector and local part in Siesta.
> - Reading the PSML, including the KB projector and local part in the PSML file.
>
> The results were exactly the same as the ones obtained before with the latest version of trunk-psml,
> with only ONE exception:
>
> Bulk Fe when the PSML includes the KB and the local part in the PSML file.
>
> Using trunk-psml:
>
> #Reading KB projs from Fe.psml file
> #
> #PSML: Kleinman-Bylander projectors:
> # l= 0 rc= 3.055283 Ekb= 3.387904
> # l= 1 rc= 3.172035 Ekb= 1.365322
> # l= 2 rc= 2.799300 Ekb=-14.260262
> # l= 3 rc= 3.293249 Ekb= -1.655710
>
>
> Using trunk-597-
>
> Reading KB projs from Fe psml data
>
> PSML: Kleinman-Bylander projectors:
> l= 0 rc= 3.055283 Ekb= 3.387904
> l= 1 rc= 3.172035 Ekb= 1.365322
> l= 2 rc= 2.799300 Ekb=-14.260262
> l= 3 rc= 3.293249 Ekb= -1.655980
>
>
> There are small differences in the Ekb for the f-channel that translates in small
> differences in the total energy (of the order, in the worst case, of 30*10^-6 eV).
>
> Bests,
>
> Javier
>
>
>
>>
>> Javier,
>>
>> You might want to run a test for numerical differences before I merge.
>>
>> --
>> https:/
>> You are requested to review the proposed merge of lp:~albertog/siesta/psml-chlocal into lp:~siesta-pseudos-bases/siesta/trunk-psml.
>
>
> --
> https:/
> You are the owner of lp:~albertog/siesta/psml-chlocal.
Javier Junquera (javier-junquera) wrote : | # |
Efectivamente, con la última versión de trunk-597-
los resultados “sl only from psml” y “full-nl from psml” son idénticos
si entramos con pseudos generados por ATOM y post procesados con la última versión de psop.
Lo he chequeado para el Fe y para el Al.
Los resultados si venimos con pseudos generados por ONCVPSP son ligeramente diferentes
(corrimiento de las energías ligeramente hacia arriba).
Paso a aprobar el merge en launchpad.
Saludos,
Javier
>
> Hola, Javier,
>
> Tus tests dan básicamente los mismos resultados porque has usado los mismos ficheros psml generados
> por la versión anterior de psop.
>
> En los de la nueva versión hay un campo nuevo (el cutoff de chlocal) que hace que los resultados
> sean prácticamente idénticos entre las ejecuciones “sl only from psml” y “full-nl from psml”.
>
> Para los psmls que vienen de oncvpsp los resultados deberían ser ligeramente diferentes a los anteriores.
>
> Si quieres testear más en este branch puedes hacerlo. Pero cuando termines tienes que “aprobar” el merge
> yendo a la página del “merge request” en Launchpad.
>
> Saludos,
>
> Alberto
>
>
>> On 15 Feb 2017, at 18:30, Javier Junquera <email address hidden> wrote:
>>
>>
>> I have run trunk-597-
>>
>> - Bulk Fe (GGA, non-linear core corrections)
>> - Bulk Al (LDA, without non-linear core corrections).
>>
>> In three different modes for each system:
>>
>> - Reading the psf
>> - Reading the PSML but generating the KB projector and local part in Siesta.
>> - Reading the PSML, including the KB projector and local part in the PSML file.
>>
>> The results were exactly the same as the ones obtained before with the latest version of trunk-psml,
>> with only ONE exception:
>>
>> Bulk Fe when the PSML includes the KB and the local part in the PSML file.
>>
>> Using trunk-psml:
>>
>> #Reading KB projs from Fe.psml file
>> #
>> #PSML: Kleinman-Bylander projectors:
>> # l= 0 rc= 3.055283 Ekb= 3.387904
>> # l= 1 rc= 3.172035 Ekb= 1.365322
>> # l= 2 rc= 2.799300 Ekb=-14.260262
>> # l= 3 rc= 3.293249 Ekb= -1.655710
>>
>>
>> Using trunk-597-
>>
>> Reading KB projs from Fe psml data
>>
>> PSML: Kleinman-Bylander projectors:
>> l= 0 rc= 3.055283 Ekb= 3.387904
>> l= 1 rc= 3.172035 Ekb= 1.365322
>> l= 2 rc= 2.799300 Ekb=-14.260262
>> l= 3 rc= 3.293249 Ekb= -1.655980
>>
>>
>> There are small differences in the Ekb for the f-channel that translates in small
>> differences in the total energy (of the order, in the worst case, of 30*10^-6 eV).
>>
>> Bests,
>>
>> Javier
>>
>>
>>
>>>
>>> Javier,
>>>
>>> You might want to run a test for numerical differences before I merge.
>>>
>>> --
>>> https:/
>>> You are requested to review the proposed merge of lp:~albertog/siesta/psml-chlocal into lp:~siesta-pseudos-bases/siesta/trunk-psml.
>>
>>
>> --
>> https:/
>> You are the owner of lp:~albertog/siesta/psml-chlocal.
>
>
> --
> https:/
Javier Junquera (javier-junquera) wrote : | # |
Efectivamente, con la última versión de trunk-597-
los resultados “sl only from psml” y “full-nl from psml” son idénticos
si entramos con pseudos generados por ATOM y post procesados con la última versión de psop.
Lo he chequeado para el Fe y para el Al.
Los resultados si venimos con pseudos generados por ONCVPSP son ligeramente diferentes
(corrimiento de las energías ligeramente hacia arriba).
Paso a aprobar el merge en launchpad.
Saludos,
Javier
> Hola, Javier,
>
> Tus tests dan básicamente los mismos resultados porque has usado los mismos
> ficheros psml generados
> por la versión anterior de psop.
>
> En los de la nueva versión hay un campo nuevo (el cutoff de chlocal) que hace
> que los resultados
> sean prácticamente idénticos entre las ejecuciones “sl only from psml” y
> “full-nl from psml”.
>
> Para los psmls que vienen de oncvpsp los resultados deberían ser ligeramente
> diferentes a los anteriores.
>
> Si quieres testear más en este branch puedes hacerlo. Pero cuando termines
> tienes que “aprobar” el merge
> yendo a la página del “merge request” en Launchpad.
>
> Saludos,
>
> Alberto
>
>
> > On 15 Feb 2017, at 18:30, Javier Junquera <email address hidden> wrote:
> >
> >
> > I have run trunk-597-
> >
> > - Bulk Fe (GGA, non-linear core corrections)
> > - Bulk Al (LDA, without non-linear core corrections).
> >
> > In three different modes for each system:
> >
> > - Reading the psf
> > - Reading the PSML but generating the KB projector and local part in Siesta.
> > - Reading the PSML, including the KB projector and local part in the PSML
> file.
> >
> > The results were exactly the same as the ones obtained before with the
> latest version of trunk-psml,
> > with only ONE exception:
> >
> > Bulk Fe when the PSML includes the KB and the local part in the PSML file.
> >
> > Using trunk-psml:
> >
> > #Reading KB projs from Fe.psml file
> > #
> > #PSML: Kleinman-Bylander projectors:
> > # l= 0 rc= 3.055283 Ekb= 3.387904
> > # l= 1 rc= 3.172035 Ekb= 1.365322
> > # l= 2 rc= 2.799300 Ekb=-14.260262
> > # l= 3 rc= 3.293249 Ekb= -1.655710
> >
> >
> > Using trunk-597-
> >
> > Reading KB projs from Fe psml data
> >
> > PSML: Kleinman-Bylander projectors:
> > l= 0 rc= 3.055283 Ekb= 3.387904
> > l= 1 rc= 3.172035 Ekb= 1.365322
> > l= 2 rc= 2.799300 Ekb=-14.260262
> > l= 3 rc= 3.293249 Ekb= -1.655980
> >
> >
> > There are small differences in the Ekb for the f-channel that translates in
> small
> > differences in the total energy (of the order, in the worst case, of
> 30*10^-6 eV).
> >
> > Bests,
> >
> > Javier
> >
> >
> >
> >>
> >> Javier,
> >>
> >> You might want to run a test for numerical differences before I merge.
> >>
> >> --
> >> https:/
> >> You are requested to review the proposed merge of lp:~albertog/siesta/psml-
> chlocal into lp:~siesta-pseudos-bases/siesta/trunk-psml.
> >
> >
> > --
> > https:/
> > You are the owner of lp:~albertog/sie...
Preview Diff
1 | === modified file 'Pseudo/vnl-operator/psop.f90' | |||
2 | --- Pseudo/vnl-operator/psop.f90 2017-01-17 16:47:45 +0000 | |||
3 | +++ Pseudo/vnl-operator/psop.f90 2017-02-15 10:54:34 +0000 | |||
4 | @@ -53,7 +53,7 @@ | |||
5 | 53 | implicit none | 53 | implicit none |
6 | 54 | 54 | ||
7 | 55 | character(len=*), parameter :: PSML_VERSION = "1.0" | 55 | character(len=*), parameter :: PSML_VERSION = "1.0" |
9 | 56 | character(len=*), parameter :: PSML_CREATOR = "psop-1.0" | 56 | character(len=*), parameter :: PSML_CREATOR = "psop-1.01" |
10 | 57 | 57 | ||
11 | 58 | integer, parameter :: dp = selected_real_kind(10,100) | 58 | integer, parameter :: dp = selected_real_kind(10,100) |
12 | 59 | 59 | ||
13 | @@ -562,6 +562,9 @@ | |||
14 | 562 | call xml_NewElement(xf,"tmp-wrapper") | 562 | call xml_NewElement(xf,"tmp-wrapper") |
15 | 563 | call xml_NewElement(xf,"local-potential") | 563 | call xml_NewElement(xf,"local-potential") |
16 | 564 | call my_add_attribute(xf,"type",trim(method_used)) | 564 | call my_add_attribute(xf,"type",trim(method_used)) |
17 | 565 | call xml_NewElement(xf,"annotation") | ||
18 | 566 | call my_add_attribute(xf,"chlocal-cutoff",str(rchloc)) | ||
19 | 567 | call xml_EndElement(xf,"annotation") | ||
20 | 565 | call xml_NewElement(xf,"grid") | 568 | call xml_NewElement(xf,"grid") |
21 | 566 | 569 | ||
22 | 567 | if (use_linear_grid) then | 570 | if (use_linear_grid) then |
23 | 568 | 571 | ||
24 | === modified file 'Src/Makefile' | |||
25 | --- Src/Makefile 2017-01-26 11:29:17 +0000 | |||
26 | +++ Src/Makefile 2017-02-15 10:54:34 +0000 | |||
27 | @@ -191,7 +191,7 @@ | |||
28 | 191 | m_initwf.o wavefunctions.o \ | 191 | m_initwf.o wavefunctions.o \ |
29 | 192 | m_evolve.o evolk.o evolg.o changebasis.o m_iotddft.o \ | 192 | m_evolve.o evolk.o evolg.o changebasis.o m_iotddft.o \ |
30 | 193 | m_matdiag.o m_matswinvers.o \ | 193 | m_matdiag.o m_matswinvers.o \ |
32 | 194 | semicore_info_froyen.o | 194 | semicore_info_froyen.o hamann.o |
33 | 195 | 195 | ||
34 | 196 | # Mixing algorithms | 196 | # Mixing algorithms |
35 | 197 | OBJS += m_mixing.o m_mixing_scf.o | 197 | OBJS += m_mixing.o m_mixing_scf.o |
36 | @@ -539,8 +539,8 @@ | |||
37 | 539 | atm_types.o: precision.o radial.o | 539 | atm_types.o: precision.o radial.o |
38 | 540 | atmfuncs.o: atm_types.o precision.o radial.o spher_harm.o sys.o | 540 | atmfuncs.o: atm_types.o precision.o radial.o spher_harm.o sys.o |
39 | 541 | atom.o: atmparams.o atom_options.o basis_specs.o basis_types.o bsc_xcmod.o | 541 | atom.o: atmparams.o atom_options.o basis_specs.o basis_types.o bsc_xcmod.o |
42 | 542 | atom.o: interpolation.o m_filter.o old_atmfuncs.o periodic_table.o precision.o | 542 | atom.o: hamann.o interpolation.o m_filter.o old_atmfuncs.o periodic_table.o |
43 | 543 | atom.o: sys.o | 543 | atom.o: precision.o sys.o |
44 | 544 | atom_graph.o: alloc.o atm_types.o atmfuncs.o class_OrbitalDistribution.o | 544 | atom_graph.o: alloc.o atm_types.o atmfuncs.o class_OrbitalDistribution.o |
45 | 545 | atom_graph.o: class_SpData1D.o class_SpData2D.o class_SpData2D.o | 545 | atom_graph.o: class_SpData1D.o class_SpData2D.o class_SpData2D.o |
46 | 546 | atom_graph.o: class_Sparsity.o intrinsic_missing.o ldau_specs.o mneighb.o | 546 | atom_graph.o: class_Sparsity.o intrinsic_missing.o ldau_specs.o mneighb.o |
47 | @@ -1430,6 +1430,7 @@ | |||
48 | 1430 | m_get_kpoints_scale.o: get_kpoints_scale.o | 1430 | m_get_kpoints_scale.o: get_kpoints_scale.o |
49 | 1431 | m_gradient.o: gradient.o | 1431 | m_gradient.o: gradient.o |
50 | 1432 | m_grdsam.o: grdsam.o | 1432 | m_grdsam.o: grdsam.o |
51 | 1433 | m_hamann.o: hamann.o | ||
52 | 1433 | m_hsparse.o: hsparse.o | 1434 | m_hsparse.o: hsparse.o |
53 | 1434 | m_intramol_pressure.o: remove_intramol_pressure.o | 1435 | m_intramol_pressure.o: remove_intramol_pressure.o |
54 | 1435 | m_ioxv.o: ioxv.o | 1436 | m_ioxv.o: ioxv.o |
55 | 1436 | 1437 | ||
56 | === modified file 'Src/atom.F' | |||
57 | --- Src/atom.F 2017-01-17 16:47:45 +0000 | |||
58 | +++ Src/atom.F 2017-02-15 10:54:34 +0000 | |||
59 | @@ -107,7 +107,6 @@ | |||
60 | 107 | . split_norm,filtercut_in,basp) | 107 | . split_norm,filtercut_in,basp) |
61 | 108 | 108 | ||
62 | 109 | use m_psop, only: compute_vlocal_chlocal | 109 | use m_psop, only: compute_vlocal_chlocal |
63 | 110 | use m_psop, only: chlocal_from_vlocal | ||
64 | 111 | use m_psop, only: kbgen | 110 | use m_psop, only: kbgen |
65 | 112 | use m_psml, only: ps_HasLocalPotential | 111 | use m_psml, only: ps_HasLocalPotential |
66 | 113 | use m_psml, only: ps_HasProjectors | 112 | use m_psml, only: ps_HasProjectors |
67 | @@ -535,39 +534,16 @@ | |||
68 | 535 | endif | 534 | endif |
69 | 536 | 535 | ||
70 | 537 | if (use_psml_vlocal) then | 536 | if (use_psml_vlocal) then |
75 | 538 | call get_psml_vlocal(basp%psml_handle,atm_label, | 537 | call get_psml_vlocal_chlocal(basp%psml_handle,is, |
76 | 539 | $ rofi,nrval,Zval,vlocal, | 538 | $ rofi,drdi,nrval,Zval,vlocal, |
77 | 540 | $ vlocal_type, | 539 | $ chlocal,nchloc) |
74 | 541 | $ got_chlocal,chlocal,nchloc) | ||
78 | 542 | 540 | ||
79 | 543 | if (write_ion_plot_files) then | 541 | if (write_ion_plot_files) then |
80 | 544 | call file_out(nrval,rofi,vlocal, | 542 | call file_out(nrval,rofi,vlocal, |
81 | 545 | . trim(global_label)//".Vlocal_psml") | 543 | . trim(global_label)//".Vlocal_psml") |
107 | 546 | endif | 544 | call file_out(nrval,rofi,chlocal, |
108 | 547 | 545 | . trim(global_label)//".Chlocal_psml") | |
109 | 548 | if (got_chlocal) then | 546 | endif |
85 | 549 | ! We got the local charge from the psml file | ||
86 | 550 | else | ||
87 | 551 | |||
88 | 552 | ! We need to reconstruct the chlocal from vlocal | ||
89 | 553 | ! This is not completely trivial | ||
90 | 554 | |||
91 | 555 | use_charge_cutoff = .true. | ||
92 | 556 | quadratic = .true. ! shape of chlocal near the origin | ||
93 | 557 | ! we do not really know, except that | ||
94 | 558 | ! in the case of a "siesta-fit" | ||
95 | 559 | ! chlocal is not quadratic, and | ||
96 | 560 | ! Siesta uses the "vlocal" cutoff. | ||
97 | 561 | |||
98 | 562 | if (trim(vlocal_type)=="siesta-fit") then | ||
99 | 563 | use_charge_cutoff = .false. | ||
100 | 564 | quadratic = .false. | ||
101 | 565 | endif | ||
102 | 566 | |||
103 | 567 | call chlocal_from_vlocal(rofi, vlocal, drdi, | ||
104 | 568 | $ s, a, nrval, | ||
105 | 569 | $ Zval, nchloc, chlocal, | ||
106 | 570 | $ use_charge_cutoff,quadratic) | ||
110 | 571 | ! | 547 | ! |
111 | 572 | ! Sanity check: re-compute Vlocal from chlocal | 548 | ! Sanity check: re-compute Vlocal from chlocal |
112 | 573 | ! using the standard routine, and output to | 549 | ! using the standard routine, and output to |
113 | @@ -582,9 +558,6 @@ | |||
114 | 582 | . trim(global_label)//".Vlocal_from_chlocal") | 558 | . trim(global_label)//".Vlocal_from_chlocal") |
115 | 583 | endif | 559 | endif |
116 | 584 | 560 | ||
117 | 585 | endif ! got_chlocal | ||
118 | 586 | |||
119 | 587 | ! | ||
120 | 588 | else | 561 | else |
121 | 589 | 562 | ||
122 | 590 | force_chlocal_method = | 563 | force_chlocal_method = |
123 | @@ -606,23 +579,18 @@ | |||
124 | 606 | $ fit_3derivs, | 579 | $ fit_3derivs, |
125 | 607 | $ use_charge_cutoff, | 580 | $ use_charge_cutoff, |
126 | 608 | $ vlocal_type) | 581 | $ vlocal_type) |
127 | 582 | |||
128 | 583 | |||
129 | 609 | endif | 584 | endif |
130 | 610 | 585 | ||
131 | 611 | ! | 586 | ! |
132 | 612 | ! Save local-pseudopotential charge | 587 | ! Save local-pseudopotential charge |
133 | 613 | ! | 588 | ! |
146 | 614 | Rchloc = rofi(nchloc) | 589 | Rchloc = rofi(nchloc) |
147 | 615 | ! This comment is misleading. rchloc is the | 590 | write(6,'(2a,f10.5)') 'atom: Maximum radius for' , |
148 | 616 | ! working cutoff for the place at which vlocal | 591 | . 'chloc: ',Rchloc |
149 | 617 | ! gets the Coulomb tail, at least when using the | 592 | |
150 | 618 | ! "vlocal as fit" routine. rchloc has the stated meaning | 593 | call comlocal(is,a,b,rofi,chlocal,nchloc,flting) |
139 | 619 | ! only if vlocal is generated from the localized | ||
140 | 620 | ! charge distribution | ||
141 | 621 | |||
142 | 622 | write(6,'(2a,f10.5)') 'atom: Maximum radius for' , | ||
143 | 623 | . ' 4*pi*r*r*local-pseudopot. charge ',Rchloc | ||
144 | 624 | |||
145 | 625 | call comlocal(is,a,b,rofi,chlocal,nchloc,flting) | ||
151 | 626 | ! | 594 | ! |
152 | 627 | !------------------------------------------------------------------ | 595 | !------------------------------------------------------------------ |
153 | 628 | !new: Save vlocal (actually r*vlocal +2*Zval) | 596 | !new: Save vlocal (actually r*vlocal +2*Zval) |
154 | @@ -634,7 +602,7 @@ | |||
155 | 634 | ! Actually, eps=1.0e-5 in the "vlocal as fit" routine... | 602 | ! Actually, eps=1.0e-5 in the "vlocal as fit" routine... |
156 | 635 | ! | 603 | ! |
157 | 636 | do ir = nrval,2,-1 | 604 | do ir = nrval,2,-1 |
159 | 637 | if (abs(red_vlocal(ir)) .gt. 1.0e-4_dp) then | 605 | if (abs(red_vlocal(ir)) .gt. 1.0e-5_dp) then |
160 | 638 | nvlocal = ir + 1 | 606 | nvlocal = ir + 1 |
161 | 639 | exit | 607 | exit |
162 | 640 | endif | 608 | endif |
163 | @@ -694,7 +662,6 @@ | |||
164 | 694 | nchloc = 0 | 662 | nchloc = 0 |
165 | 695 | call comlocal(is,a,b,rofi,chlocal,nchloc,flting) | 663 | call comlocal(is,a,b,rofi,chlocal,nchloc,flting) |
166 | 696 | nvlocal = 0 | 664 | nvlocal = 0 |
167 | 697 | call comlocal(is,a,b,rofi,red_vlocal,nvlocal,flting) | ||
168 | 698 | call com_vlocal(is,a,b,rofi,red_vlocal,nvlocal, | 665 | call com_vlocal(is,a,b,rofi,red_vlocal,nvlocal, |
169 | 699 | . zval,flting) | 666 | . zval,flting) |
170 | 700 | ! | 667 | ! |
171 | @@ -2477,24 +2444,31 @@ | |||
172 | 2477 | 2444 | ||
173 | 2478 | end subroutine read_vps | 2445 | end subroutine read_vps |
174 | 2479 | ! | 2446 | ! |
178 | 2480 | subroutine get_psml_vlocal(ps,atm_label,rofi,nrval,Zval, | 2447 | subroutine get_psml_vlocal_chlocal(ps,is,rofi,drdi,nrval, |
179 | 2481 | $ vlocal,vlocal_type, | 2448 | $ Zval,vlocal,chlocal,nchloc) |
180 | 2482 | $ got_chlocal,chlocal,nchloc) | 2449 | |
181 | 2450 | !! Extracts Vlocal from PSML file and computes Chlocal | ||
182 | 2451 | !! by computing its Laplacian | ||
183 | 2483 | 2452 | ||
184 | 2484 | use m_psml, psml_t => ps_t | 2453 | use m_psml, psml_t => ps_t |
185 | 2485 | 2454 | ||
186 | 2486 | type(psml_t), intent(in) :: ps ! psml handle | 2455 | type(psml_t), intent(in) :: ps ! psml handle |
188 | 2487 | character(len=*), intent(in) :: atm_label | 2456 | integer, intent(in) :: is |
189 | 2488 | real(dp), intent(in) :: rofi(:) | 2457 | real(dp), intent(in) :: rofi(:) |
190 | 2458 | real(dp), intent(in) :: drdi(:) | ||
191 | 2489 | integer, intent(in) :: nrval | 2459 | integer, intent(in) :: nrval |
192 | 2490 | real(dp), intent(in) :: Zval | 2460 | real(dp), intent(in) :: Zval |
193 | 2491 | real(dp), intent(out) :: vlocal(:) | 2461 | real(dp), intent(out) :: vlocal(:) |
194 | 2492 | character(len=*), intent(out) :: vlocal_type | ||
195 | 2493 | logical, intent(out) :: got_chlocal | ||
196 | 2494 | real(dp), intent(out) :: chlocal(:) | 2462 | real(dp), intent(out) :: chlocal(:) |
197 | 2495 | integer, intent(out) :: nchloc | 2463 | integer, intent(out) :: nchloc |
198 | 2496 | 2464 | ||
200 | 2497 | integer :: ir | 2465 | integer :: ir, status |
201 | 2466 | character(len=40) :: vlocal_type | ||
202 | 2467 | logical :: got_chlocal | ||
203 | 2468 | character(len=50) :: value | ||
204 | 2469 | real(dp) :: rchloc | ||
205 | 2470 | |||
206 | 2471 | type(ps_annotation_t) :: annotation | ||
207 | 2498 | 2472 | ||
208 | 2499 | if (abs(ps_ZPseudo(ps)-Zval) > 1.e-8_dp) then | 2473 | if (abs(ps_ZPseudo(ps)-Zval) > 1.e-8_dp) then |
209 | 2500 | call die("Zval mismatch in psml file") | 2474 | call die("Zval mismatch in psml file") |
210 | @@ -2510,29 +2484,295 @@ | |||
211 | 2510 | enddo | 2484 | enddo |
212 | 2511 | 2485 | ||
213 | 2512 | vlocal_type = ps_LocalPotential_Type(ps) | 2486 | vlocal_type = ps_LocalPotential_Type(ps) |
217 | 2513 | write(6,"(a)") "Got Vlocal (" // trim(vlocal_type) // | 2487 | write(6,"(a)") "Got Vlocal (" // trim(vlocal_type) |
218 | 2514 | $ ") from " // trim(atm_label)//" psml data" | 2488 | $ // ") from psml data" |
219 | 2515 | 2489 | ||
220 | 2490 | ! Extraction of chlocal | ||
221 | 2491 | |||
222 | 2492 | ! Try to get chlocal from the PSML file | ||
223 | 2493 | |||
224 | 2516 | got_chlocal = .false. | 2494 | got_chlocal = .false. |
225 | 2517 | if (ps_HasLocalCharge(ps)) then | 2495 | if (ps_HasLocalCharge(ps)) then |
244 | 2518 | write(6,"(a)") "Got Chlocal from " // | 2496 | |
245 | 2519 | $ trim(atm_label)//" psml data" | 2497 | annotation = ps_GetAnnotation(ps,"local-potential") |
246 | 2520 | got_chlocal = .true. | 2498 | call get_annotation_value(annotation,"chlocal-cutoff", |
247 | 2521 | do ir = 1, nrval | 2499 | $ value,status) |
248 | 2522 | chlocal(ir) = ps_LocalCharge_Value(ps,rofi(ir)) | 2500 | |
249 | 2523 | enddo | 2501 | if (status == 0) then |
250 | 2524 | ! Compute nchloc, assuming proper generation of local charge, | 2502 | |
251 | 2525 | ! during which the tail is set to zero. | 2503 | write(6,"(a)") "Got Chlocal from " // |
252 | 2526 | do ir = nrval, 1, -1 | 2504 | $ " psml data" |
253 | 2527 | if (abs(chlocal(ir)) > 0.0_dp) exit | 2505 | |
254 | 2528 | enddo | 2506 | do ir = 1, nrval |
255 | 2529 | nchloc = ir + 1 | 2507 | chlocal(ir) = ps_LocalCharge_Value(ps,rofi(ir)) |
256 | 2530 | write(6,"(a,i4,f10.6)") "nchloc from abs(chloc)>0: ", | 2508 | enddo |
257 | 2531 | $ nchloc, rofi(nchloc) | 2509 | ! Get the chlocal cutoff from PSML file |
258 | 2532 | endif | 2510 | read(value,*) rchloc |
259 | 2533 | 2511 | ||
260 | 2534 | end subroutine get_psml_vlocal | 2512 | do ir = 1, nrval |
261 | 2535 | 2513 | if (rofi(ir) > (rchloc + 1.0e-6_dp)) exit | |
262 | 2514 | enddo | ||
263 | 2515 | nchloc = ir - 1 | ||
264 | 2516 | write(6,*) "rchloc from annotation, nchloc: ", | ||
265 | 2517 | $ rchloc, nchloc | ||
266 | 2518 | |||
267 | 2519 | got_chlocal = .true. | ||
268 | 2520 | |||
269 | 2521 | elseif (fdf_get("psml.chlocal.trust.tail",.true.)) then | ||
270 | 2522 | |||
271 | 2523 | ! Compute nchloc, assuming proper generation of local charge, | ||
272 | 2524 | ! during which the tail is set to zero. | ||
273 | 2525 | ! NOTE: The interpolator will return non-zero values for points | ||
274 | 2526 | ! beyond the cutoff, particularly if using high orders of interpolation | ||
275 | 2527 | |||
276 | 2528 | ! Possibly use a lower order of interpolation here, | ||
277 | 2529 | ! at least near the tail (to be implemented) | ||
278 | 2530 | do ir = 1, nrval | ||
279 | 2531 | chlocal(ir) = ps_LocalCharge_Value(ps,rofi(ir)) | ||
280 | 2532 | enddo | ||
281 | 2533 | do ir = nrval, 1, -1 | ||
282 | 2534 | if (abs(chlocal(ir)) > 0.0_dp) exit | ||
283 | 2535 | enddo | ||
284 | 2536 | nchloc = ir + 1 | ||
285 | 2537 | write(6,"(a)") "Got Chlocal from " // | ||
286 | 2538 | $ " psml data" | ||
287 | 2539 | write(6,"(a,i4,f10.6)") "nchloc from abs(chloc)>0: ", | ||
288 | 2540 | $ nchloc, rofi(nchloc) | ||
289 | 2541 | got_chlocal = .true. | ||
290 | 2542 | |||
291 | 2543 | endif | ||
292 | 2544 | |||
293 | 2545 | endif | ||
294 | 2546 | |||
295 | 2547 | ! If we could not get the data from the PSML file, we | ||
296 | 2548 | ! have to construct chlocal from the local potential | ||
297 | 2549 | |||
298 | 2550 | if (.not. got_chlocal) then | ||
299 | 2551 | call chlocal_from_vlocal(ps,nrval,rofi,drdi,vlocal,Zval, | ||
300 | 2552 | $ chlocal,nchloc) | ||
301 | 2553 | endif | ||
302 | 2554 | |||
303 | 2555 | end subroutine get_psml_vlocal_chlocal | ||
304 | 2556 | |||
305 | 2557 | subroutine chlocal_from_vlocal(ps,nrval,rofi,drdi,vlocal,Zval, | ||
306 | 2558 | $ chlocal,nchloc) | ||
307 | 2559 | |||
308 | 2560 | ! This routine computes the "local charge density" chlocal | ||
309 | 2561 | ! which would produce Vlocal electrostatically | ||
310 | 2562 | ! Use Poisson's equation: | ||
311 | 2563 | ! | ||
312 | 2564 | ! Laplacian(Vlocal) = - 4 pi * chlocal (Hartree units) | ||
313 | 2565 | |||
314 | 2566 | use m_hamann, only: derivs, dpnint | ||
315 | 2567 | use m_psml, psml_t => ps_t | ||
316 | 2568 | |||
317 | 2569 | type(psml_t), intent(in) :: ps ! psml handle | ||
318 | 2570 | real(dp), intent(in) :: rofi(:) | ||
319 | 2571 | real(dp), intent(in) :: drdi(:) | ||
320 | 2572 | integer, intent(in) :: nrval | ||
321 | 2573 | real(dp), intent(in) :: Zval | ||
322 | 2574 | real(dp), intent(in) :: vlocal(:) | ||
323 | 2575 | real(dp), intent(out) :: chlocal(:) | ||
324 | 2576 | integer, intent(out) :: nchloc | ||
325 | 2577 | |||
326 | 2578 | integer :: ir, i, mmax, n0, npts, nrange | ||
327 | 2579 | integer :: nchloc_charge, nchloc_vlocal | ||
328 | 2580 | integer :: poly_order_rlin, poly_order_rofi | ||
329 | 2581 | character(len=40) :: vlocal_type | ||
330 | 2582 | |||
331 | 2583 | real(dp) :: qtot, r, g2, charge, al, rr1, delta | ||
332 | 2584 | real(dp) :: rcut_chloc, exp_al, r0 | ||
333 | 2585 | real(dp), dimension(:), allocatable :: vl, vlp, vlpp, vllap | ||
334 | 2586 | real(dp), dimension(:), allocatable :: rr, ch, rlin, chlocal_rlin | ||
335 | 2587 | real(dp), parameter :: pi = 3.141592653589793_dp | ||
336 | 2588 | |||
337 | 2589 | real(dp), parameter :: eps_vlocal=1.0e-5_dp | ||
338 | 2590 | real(dp), parameter :: eps_charge=1.0e-4_dp ! To match | ||
339 | 2591 | |||
340 | 2592 | logical :: use_charge_cutoff | ||
341 | 2593 | |||
342 | 2594 | ! Heuristics for parameters | ||
343 | 2595 | |||
344 | 2596 | vlocal_type = ps_LocalPotential_Type(ps) | ||
345 | 2597 | select case (trim(vlocal_type)) | ||
346 | 2598 | case ("siesta-fit") | ||
347 | 2599 | use_charge_cutoff = fdf_boolean( | ||
348 | 2600 | $ "use-charge-cutoff-for-vlocal-fit",.false.) | ||
349 | 2601 | ! | ||
350 | 2602 | r0 = fdf_get("psml.chlocal.build.r0",0.004_dp) | ||
351 | 2603 | delta = fdf_get("psml.chlocal.build.delta",0.005_dp) | ||
352 | 2604 | poly_order_rlin = | ||
353 | 2605 | $ fdf_get("psml.chlocal.build.poly_order_rlin",4) | ||
354 | 2606 | case ("siesta-charge") | ||
355 | 2607 | use_charge_cutoff = .true. | ||
356 | 2608 | ! | ||
357 | 2609 | r0 = fdf_get("psml.chlocal.build.r0",0.009_dp) | ||
358 | 2610 | delta = fdf_get("psml.chlocal.build.delta",0.01_dp) | ||
359 | 2611 | poly_order_rlin = | ||
360 | 2612 | $ fdf_get("psml.chlocal.build.poly_order_rlin",3) | ||
361 | 2613 | case default | ||
362 | 2614 | |||
363 | 2615 | ! PSML files produced by other codes | ||
364 | 2616 | r0 = fdf_get("psml.chlocal.build.r0",0.004_dp) | ||
365 | 2617 | delta = fdf_get("psml.chlocal.build.delta",0.005_dp) | ||
366 | 2618 | poly_order_rlin = | ||
367 | 2619 | $ fdf_get("psml.chlocal.build.poly_order_rlin",4) | ||
368 | 2620 | use_charge_cutoff = | ||
369 | 2621 | $ fdf_boolean("use-charge-cutoff-for-vlocal-fit",.false.) | ||
370 | 2622 | end select | ||
371 | 2623 | |||
372 | 2624 | |||
373 | 2625 | ! Set up reference grid in the manner of Don Hamann | ||
374 | 2626 | ! so that we can use his 'derivs' routine below | ||
375 | 2627 | ! Any grid would do, as long as the proper drdi and | ||
376 | 2628 | ! d^2r/di^2 is used. | ||
377 | 2629 | |||
378 | 2630 | ! al = log(1.012_dp) ! spacing factor | ||
379 | 2631 | !rr1 = 0.0005_dp / Z ! first point (r(1)) | ||
380 | 2632 | ! make them larger | ||
381 | 2633 | rr1 = fdf_get("psml.chlocal.build.rr1",0.001_dp) | ||
382 | 2634 | exp_al = fdf_get("psml.chlocal.build.exp_al",1.012_dp) | ||
383 | 2635 | al = log(exp_al) ! spacing factor | ||
384 | 2636 | mmax = log(rofi(nrval)/rr1)/al ! range of points | ||
385 | 2637 | |||
386 | 2638 | ! First point to keep | ||
387 | 2639 | if (r0 <= rr1) call die("psml: chlocal build: r0 < rr1") | ||
388 | 2640 | |||
389 | 2641 | allocate(rr(mmax),vl(mmax)) | ||
390 | 2642 | do i = 1, mmax | ||
391 | 2643 | rr(i) = rr1 * exp(al*(i-1)) | ||
392 | 2644 | vl(i) = 2.0_dp * ps_LocalPotential_Value(ps,rr(i)) | ||
393 | 2645 | enddo | ||
394 | 2646 | |||
395 | 2647 | allocate(vlp(mmax),vlpp(mmax),vllap(mmax)) | ||
396 | 2648 | allocate(ch(mmax)) | ||
397 | 2649 | |||
398 | 2650 | ! Compute laplacian by finite differences | ||
399 | 2651 | call derivs(mmax,vl,al,0.0_dp,rr,vlp,vlpp,vllap) | ||
400 | 2652 | ch(:) = - vllap(:) / (8.0_dp*pi) ! Rydberg units | ||
401 | 2653 | |||
402 | 2654 | call file_out(mmax,rr,ch, | ||
403 | 2655 | . trim(global_label)//".Chlocal_rr_psml") | ||
404 | 2656 | |||
405 | 2657 | |||
406 | 2658 | ! Now interpolate first into linear grid, using | ||
407 | 2659 | ! the points from r0 onwards | ||
408 | 2660 | n0 = log(r0/rr1)/al ! range of points | ||
409 | 2661 | npts= 2 + rofi(nrval)/delta ! overkill. will have to reduce range | ||
410 | 2662 | allocate(rlin(npts)) | ||
411 | 2663 | do i = 1, npts | ||
412 | 2664 | rlin(i) = delta*(i-1) | ||
413 | 2665 | enddo | ||
414 | 2666 | |||
415 | 2667 | allocate(chlocal_rlin(npts)) | ||
416 | 2668 | chlocal_rlin(:) = 0.0_dp | ||
417 | 2669 | ! to avoid out-of-range errors in interp routine | ||
418 | 2670 | nrange = log(rr(mmax)/rr1)/al - 2 | ||
419 | 2671 | call dpnint(rr(n0),ch(n0),mmax-n0+1,rlin,chlocal_rlin, | ||
420 | 2672 | $ nrange,poly_order=poly_order_rlin) | ||
421 | 2673 | call file_out(npts,rlin,chlocal_rlin, | ||
422 | 2674 | . trim(global_label)//".Chlocal_rlin_psml") | ||
423 | 2675 | |||
424 | 2676 | ! Now interpolate into Siesta's grid | ||
425 | 2677 | chlocal(:) = 0.0_dp | ||
426 | 2678 | poly_order_rofi = | ||
427 | 2679 | $ fdf_get("psml.chlocal.build.poly_order_rofi",7) | ||
428 | 2680 | call dpnint(rlin,chlocal_rlin,npts,rofi,chlocal, | ||
429 | 2681 | $ nrval-20,poly_order=poly_order_rofi) | ||
430 | 2682 | |||
431 | 2683 | call file_out(nrval,rofi,chlocal, | ||
432 | 2684 | . trim(global_label)//".Chlocal_rofi_psml") | ||
433 | 2685 | |||
434 | 2686 | deallocate(rlin, chlocal_rlin) | ||
435 | 2687 | deallocate(rr, vl, ch, vlp, vlpp, vllap) | ||
436 | 2688 | |||
437 | 2689 | ! Compute chlocal cutoff | ||
438 | 2690 | ! This section tries to keep compatibility with Siesta's behavior | ||
439 | 2691 | ! for its own vlocal/chlocal | ||
440 | 2692 | |||
441 | 2693 | |||
442 | 2694 | if (use_charge_cutoff) then | ||
443 | 2695 | ! Psop's vlocals for the 'siesta-charge' option | ||
444 | 2696 | ! are cut off at 1.1*rchloc... so it is hopeless | ||
445 | 2697 | ! to try to reproduce exactly the behavior here. | ||
446 | 2698 | ! It would be better to dampen off vlocal in all cases | ||
447 | 2699 | |||
448 | 2700 | qtot = 0.0_dp | ||
449 | 2701 | do ir=1,nrval | ||
450 | 2702 | r = rofi(ir) | ||
451 | 2703 | charge = 4*pi*r*r*chlocal(ir)*drdi(ir) | ||
452 | 2704 | qtot = qtot - charge ! minus sign for cosmetics in output | ||
453 | 2705 | enddo | ||
454 | 2706 | !write(6,*) "qtot in whole range of chlocal: ", qtot | ||
455 | 2707 | |||
456 | 2708 | ! The "charge" option for cutoff is | ||
457 | 2709 | ! based on "smallness" of the charge itself | ||
458 | 2710 | do ir = nrval, 1, -1 | ||
459 | 2711 | r = rofi(ir) | ||
460 | 2712 | chlocal(ir) = zval*chlocal(ir)/qtot | ||
461 | 2713 | charge = 4*pi*r*r*chlocal(ir) | ||
462 | 2714 | if (abs(charge) .gt. eps_charge) then | ||
463 | 2715 | nchloc_charge = ir + 1 | ||
464 | 2716 | exit | ||
465 | 2717 | endif | ||
466 | 2718 | enddo | ||
467 | 2719 | |||
468 | 2720 | rcut_chloc = rofi(nchloc_charge) | ||
469 | 2721 | write(6,"(a,f10.6)") "Choosing charge chloc cutoff:", | ||
470 | 2722 | $ rcut_chloc | ||
471 | 2723 | nchloc = nchloc_charge | ||
472 | 2724 | |||
473 | 2725 | else | ||
474 | 2726 | |||
475 | 2727 | ! "vlocal" option for cutoff | ||
476 | 2728 | ! This sets the cutoff point for chlocal | ||
477 | 2729 | ! as that in which Vlocal is close to | ||
478 | 2730 | ! -Z/r (see test inside the loop). | ||
479 | 2731 | |||
480 | 2732 | ! This test is not very robust. If Vlocal crosses Z/r | ||
481 | 2733 | ! at some point, the loop will end too soon. | ||
482 | 2734 | ! do ir=1,nrval-1 | ||
483 | 2735 | ! g2=vlocal(ir)*rofi(ir) | ||
484 | 2736 | ! if (abs(g2+2.0_dp*zval).lt.eps_vlocal) exit | ||
485 | 2737 | ! enddo | ||
486 | 2738 | ! "nchloc-1" is used below as the effective point... | ||
487 | 2739 | ! This is historical usage. | ||
488 | 2740 | ! nchloc_vlocal = ir | ||
489 | 2741 | |||
490 | 2742 | ! This is more robust | ||
491 | 2743 | do ir=nrval,1,-1 | ||
492 | 2744 | g2=vlocal(ir)*rofi(ir) | ||
493 | 2745 | if (abs(g2+2.0_dp*zval).ge.eps_vlocal) exit | ||
494 | 2746 | enddo | ||
495 | 2747 | ! "nchloc-1" is used below as the effective point... | ||
496 | 2748 | ! This is historical usage. | ||
497 | 2749 | nchloc_vlocal = ir + 1 | ||
498 | 2750 | |||
499 | 2751 | rcut_chloc = rofi(nchloc_vlocal) | ||
500 | 2752 | write(6,"(a,f10.6)") "Choosing vlocal chloc cutoff:", | ||
501 | 2753 | $ rcut_chloc | ||
502 | 2754 | nchloc = nchloc_vlocal | ||
503 | 2755 | |||
504 | 2756 | ! Note the different normalization here | ||
505 | 2757 | ! Compute qtot only up to nchloc | ||
506 | 2758 | qtot = 0.0_dp | ||
507 | 2759 | do ir=1,nchloc-1 | ||
508 | 2760 | r = rofi(ir) | ||
509 | 2761 | charge = 4*pi*r*r*chlocal(ir)*drdi(ir) | ||
510 | 2762 | qtot = qtot - charge | ||
511 | 2763 | enddo | ||
512 | 2764 | write(6,"(a,f14.8)") "qtot up to nchloc:", qtot | ||
513 | 2765 | |||
514 | 2766 | do ir=1,nchloc-1 | ||
515 | 2767 | chlocal(ir)=zval*chlocal(ir)/qtot | ||
516 | 2768 | enddo | ||
517 | 2769 | do ir=nchloc,nrval | ||
518 | 2770 | chlocal(ir)=0.0_dp | ||
519 | 2771 | enddo | ||
520 | 2772 | |||
521 | 2773 | endif | ||
522 | 2774 | end subroutine chlocal_from_vlocal | ||
523 | 2775 | |||
524 | 2536 | subroutine get_psml_kbprojs(is,ps,atm_label,a,b,rofi,nrval,Zval, | 2776 | subroutine get_psml_kbprojs(is,ps,atm_label,a,b,rofi,nrval,Zval, |
525 | 2537 | $ lmxkb_true,nkb) | 2777 | $ lmxkb_true,nkb) |
526 | 2538 | use m_psml, psml_t => ps_t | 2778 | use m_psml, psml_t => ps_t |
527 | 2539 | 2779 | ||
528 | === added file 'Src/hamann.f90' | |||
529 | --- Src/hamann.f90 1970-01-01 00:00:00 +0000 | |||
530 | +++ Src/hamann.f90 2017-02-15 10:54:34 +0000 | |||
531 | @@ -0,0 +1,245 @@ | |||
532 | 1 | module m_hamann | ||
533 | 2 | public :: derivs, dpnint | ||
534 | 3 | private | ||
535 | 4 | |||
536 | 5 | CONTAINS | ||
537 | 6 | ! | ||
538 | 7 | ! Copyright (c) 1989-2016 by D. R. Hamann, Mat-Sim Research LLC and Rutgers | ||
539 | 8 | ! University | ||
540 | 9 | ! | ||
541 | 10 | ! | ||
542 | 11 | ! This program is free software: you can redistribute it and/or modify | ||
543 | 12 | ! it under the terms of the GNU General Public License as published by | ||
544 | 13 | ! the Free Software Foundation, either version 3 of the License, or | ||
545 | 14 | ! (at your option) any later version. | ||
546 | 15 | ! | ||
547 | 16 | ! This program is distributed in the hope that it will be useful, | ||
548 | 17 | ! but WITHOUT ANY WARRANTY; without even the implied warranty of | ||
549 | 18 | ! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the | ||
550 | 19 | ! GNU General Public License for more details. | ||
551 | 20 | ! | ||
552 | 21 | ! You should have received a copy of the GNU General Public License | ||
553 | 22 | ! along with this program. If not, see <http://www.gnu.org/licenses/>. | ||
554 | 23 | |||
555 | 24 | ! Routines taken from Don Hamann's oncvpsp package | ||
556 | 25 | |||
557 | 26 | subroutine derivs(mmax, f, a, b, rr, dpr, dppr, dlap) | ||
558 | 27 | |||
559 | 28 | ! Computes the first and second derivatives, | ||
560 | 29 | ! and the laplacian 1/r d^2(rf)/dr^2 of a | ||
561 | 30 | ! function f defined on a log grid of the | ||
562 | 31 | ! form r(i) = b * [ exp( a*(i-1) ) - 1] | ||
563 | 32 | ! | ||
564 | 33 | ! for which dr/di = a(r+b) | ||
565 | 34 | ! | ||
566 | 35 | ! This routine will work also for Hamann-style | ||
567 | 36 | ! grids of the form | ||
568 | 37 | |||
569 | 38 | ! r(i) = r1 * exp( a*(i-1) ) | ||
570 | 39 | ! | ||
571 | 40 | ! if b is formally set to zero, since dr/di = a*r | ||
572 | 41 | ! in this case (even though r1 (=b) is not zero, obviously) | ||
573 | 42 | |||
574 | 43 | ! Adapted from a subroutine by Don Hamann | ||
575 | 44 | ! in the oncvpsp package. | ||
576 | 45 | |||
577 | 46 | implicit none | ||
578 | 47 | integer, parameter :: dp=kind(1.0d0) | ||
579 | 48 | |||
580 | 49 | integer, intent(in) :: mmax | ||
581 | 50 | real(dp), intent(in) :: a, b | ||
582 | 51 | real(dp), intent(in) :: rr(mmax) | ||
583 | 52 | real(dp), intent(in) :: f(mmax) | ||
584 | 53 | real(dp), intent(out) :: dpr(mmax), dppr(mmax), dlap(mmax) | ||
585 | 54 | |||
586 | 55 | ! local vars | ||
587 | 56 | integer :: i | ||
588 | 57 | real(dp) :: drdi | ||
589 | 58 | real(dp) :: dpn(mmax), dppn(mmax) | ||
590 | 59 | real(dp) :: c11,c12,c13,c14,c15 | ||
591 | 60 | real(dp) :: c21,c22,c23,c24,c25 | ||
592 | 61 | |||
593 | 62 | c11 = 2.0d0 / 24.0d0 | ||
594 | 63 | c12 = -16.0d0 / 24.0d0 | ||
595 | 64 | c13 = 0.0d0 / 24.0d0 | ||
596 | 65 | c14 = 16.0d0 / 24.0d0 | ||
597 | 66 | c15 = -2.0d0 / 24.0d0 | ||
598 | 67 | ! | ||
599 | 68 | c21 = -1.0d0 / 12.0d0 | ||
600 | 69 | c22 = 16.0d0 / 12.0d0 | ||
601 | 70 | c23 = -30.0d0 / 12.0d0 | ||
602 | 71 | c24 = 16.0d0 / 12.0d0 | ||
603 | 72 | c25 = -1.0d0 / 12.0d0 | ||
604 | 73 | ! | ||
605 | 74 | ! n derivatives of d | ||
606 | 75 | ! | ||
607 | 76 | i=1 | ||
608 | 77 | dpn(i) = -25.d0/12.d0*f(i) +4.d0*f(i+1) -3.d0*f(i+2) & | ||
609 | 78 | & +4.d0/3.d0*f(i+3) -1.d0/4.d0*f(i+4) | ||
610 | 79 | dppn(i) = 15.d0/4.d0*f(i) -77.d0/6.d0*f(i+1) +107.d0/6.d0*f(i+2) & | ||
611 | 80 | & -13.d0*f(i+3) +61.d0/12.d0*f(i+4) -5.d0/6.d0*f(i+5) | ||
612 | 81 | i=2 | ||
613 | 82 | dpn(i) = -25.d0/12.d0*f(i) +4.d0*f(i+1) -3.d0*f(i+2) & | ||
614 | 83 | & +4.d0/3.d0*f(i+3) -1.d0/4.d0*f(i+4) | ||
615 | 84 | dppn(i) = 15.d0/4.d0*f(i) -77.d0/6.d0*f(i+1) +107.d0/6.d0*f(i+2) & | ||
616 | 85 | & -13.d0*f(i+3) +61.d0/12.d0*f(i+4) -5.d0/6.d0*f(i+5) | ||
617 | 86 | |||
618 | 87 | do i = 3, mmax - 2 | ||
619 | 88 | dpn(i) = c11*f(i-2) + c12*f(i-1) + c14*f(i+1) + c15*f(i+2) | ||
620 | 89 | dppn(i) = c21*f(i-2) + c22*f(i-1) + c23*f(i) + c24*f(i+1) & | ||
621 | 90 | & +c25*f(i+2) | ||
622 | 91 | end do | ||
623 | 92 | |||
624 | 93 | i=mmax-1 | ||
625 | 94 | dpn(i) = +25.d0/12.d0*f(i) -4.d0*f(i-1) +3.d0*f(i-2) & | ||
626 | 95 | & -4.d0/3.d0*f(i-3) +1.d0/4.d0*f(i-4) | ||
627 | 96 | dppn(i) = -15.d0/4.d0*f(i) +77.d0/6.d0*f(i-1) -107.d0/6.d0*f(i-2) & | ||
628 | 97 | & +13.d0*f(i-3) -61.d0/12.d0*f(i-4) +5.d0/6.d0*f(i-5) | ||
629 | 98 | i=mmax | ||
630 | 99 | dpn(i) = +25.d0/12.d0*f(i) -4.d0*f(i-1) +3.d0*f(i-2) & | ||
631 | 100 | & -4.d0/3.d0*f(i-3) +1.d0/4.d0*f(i-4) | ||
632 | 101 | dppn(i) = -15.d0/4.d0*f(i) +77.d0/6.d0*f(i-1) -107.d0/6.d0*f(i-2) & | ||
633 | 102 | & +13.d0*f(i-3) -61.d0/12.d0*f(i-4) +5.d0/6.d0*f(i-5) | ||
634 | 103 | |||
635 | 104 | ! | ||
636 | 105 | ! r derivatives of d | ||
637 | 106 | ! | ||
638 | 107 | do i = 1, mmax | ||
639 | 108 | drdi = a * (rr(i) + b) | ||
640 | 109 | dpr(i) = dpn(i) / drdi | ||
641 | 110 | dppr(i) = (dppn(i) - a * dpn(i)) / (drdi)**2 | ||
642 | 111 | dlap(i) = (dppn(i) + a * dpn(i)) / (drdi)**2 | ||
643 | 112 | end do | ||
644 | 113 | |||
645 | 114 | end subroutine derivs | ||
646 | 115 | |||
647 | 116 | |||
648 | 117 | subroutine dpnint(xx, yy, nn, tt, ss, mm, poly_order) | ||
649 | 118 | |||
650 | 119 | ! local polynomial interpolation of data yy on nn points xx | ||
651 | 120 | ! giving values ss on mm points tt | ||
652 | 121 | ! npoly sets order of polynomial | ||
653 | 122 | ! xx must be ordered in ascending order | ||
654 | 123 | ! output mm interpolated values ss on points tt | ||
655 | 124 | |||
656 | 125 | implicit none | ||
657 | 126 | |||
658 | 127 | integer, parameter :: dp=kind(1.0d0) | ||
659 | 128 | |||
660 | 129 | !Input variables | ||
661 | 130 | real(dp) :: xx(*),yy(*),tt(*),ss(*) | ||
662 | 131 | integer nn,mm | ||
663 | 132 | integer, optional :: poly_order | ||
664 | 133 | |||
665 | 134 | !Local variables | ||
666 | 135 | real(dp) :: sum,term,zz | ||
667 | 136 | integer ii,imin,imax,iprod,iy,istart,jj,kk | ||
668 | 137 | integer npoly | ||
669 | 138 | |||
670 | 139 | ! set order of polynomial | ||
671 | 140 | ! integer, parameter :: npoly=7 | ||
672 | 141 | |||
673 | 142 | if (present(poly_order)) then | ||
674 | 143 | npoly = poly_order | ||
675 | 144 | else | ||
676 | 145 | npoly = 7 | ||
677 | 146 | endif | ||
678 | 147 | |||
679 | 148 | if(nn<npoly+1) then | ||
680 | 149 | write(6,'(/a,i6,a,i4)') 'dpnint: interpolation error, n=', & | ||
681 | 150 | & nn,'< npoly=',npoly | ||
682 | 151 | stop | ||
683 | 152 | end if | ||
684 | 153 | |||
685 | 154 | ! note: output point 1 is skipped in this version because of special | ||
686 | 155 | ! properties of pp data (ie., log grid) | ||
687 | 156 | ! this point receives special treatment (see below) | ||
688 | 157 | |||
689 | 158 | ss(1:mm)=0.0d0 | ||
690 | 159 | imin = 1 | ||
691 | 160 | do jj = 2, mm | ||
692 | 161 | if(tt(jj)<xx(1)) then | ||
693 | 162 | write(6,'(/a)') 'dp3int: interpolation error - out of range' | ||
694 | 163 | stop | ||
695 | 164 | end if | ||
696 | 165 | if(tt(jj)>xx(nn)) then | ||
697 | 166 | write(6,'(/a)') 'dpnint: interpolation error - out of range' | ||
698 | 167 | stop | ||
699 | 168 | end if | ||
700 | 169 | |||
701 | 170 | ! interval halving search for xx(ii) points bracketing tt(jj) | ||
702 | 171 | if(jj>2) then | ||
703 | 172 | if(tt(jj)<tt(jj-1)) imin=1 | ||
704 | 173 | end if | ||
705 | 174 | imin = 1 | ||
706 | 175 | imax = nn | ||
707 | 176 | do kk = 1, nn | ||
708 | 177 | ii = (imin + imax) / 2 | ||
709 | 178 | if(tt(jj)>xx(ii)) then | ||
710 | 179 | imin = ii | ||
711 | 180 | else | ||
712 | 181 | imax = ii | ||
713 | 182 | end if | ||
714 | 183 | if(imax - imin .eq. 1) then | ||
715 | 184 | exit | ||
716 | 185 | end if | ||
717 | 186 | end do | ||
718 | 187 | |||
719 | 188 | |||
720 | 189 | zz=tt(jj) | ||
721 | 190 | |||
722 | 191 | if(mod(npoly,2)==1) then | ||
723 | 192 | istart=imin-npoly/2 | ||
724 | 193 | else if(zz-xx(imin) < xx(imax)-zz) then | ||
725 | 194 | istart=imin-npoly/2 | ||
726 | 195 | else | ||
727 | 196 | istart=imax-npoly/2 | ||
728 | 197 | end if | ||
729 | 198 | |||
730 | 199 | istart = min(istart, nn - npoly) | ||
731 | 200 | istart = max(istart, 1) | ||
732 | 201 | |||
733 | 202 | sum=0.0d0 | ||
734 | 203 | do iy=istart,istart+npoly | ||
735 | 204 | if(yy(iy)==0.0d0) cycle | ||
736 | 205 | term=yy(iy) | ||
737 | 206 | do iprod=istart, istart+npoly | ||
738 | 207 | if(iprod==iy) cycle | ||
739 | 208 | term=term*(zz-xx(iprod))/(xx(iy)-xx(iprod)) | ||
740 | 209 | end do | ||
741 | 210 | sum=sum+term | ||
742 | 211 | end do | ||
743 | 212 | ss(jj)=sum | ||
744 | 213 | |||
745 | 214 | ! special treatment for the origin | ||
746 | 215 | ! Do order npoly EXTRAPOLATION to the origin using the points inerpolated | ||
747 | 216 | ! on the linear grid rather than the log grid, since this represents an | ||
748 | 217 | ! extrapolation of 1 grid point. Exrapolation from the innermost points | ||
749 | 218 | ! of the log grid would represent a huge extrapolation, and round-off | ||
750 | 219 | ! error would not be acceptable If the fitted function is a polynomial | ||
751 | 220 | ! of order npoly or less, this is exact. | ||
752 | 221 | |||
753 | 222 | if(tt(1)==0.0d0) then | ||
754 | 223 | |||
755 | 224 | istart=2 | ||
756 | 225 | zz=0.0d0 | ||
757 | 226 | |||
758 | 227 | sum=0.0d0 | ||
759 | 228 | do iy=istart,istart+npoly | ||
760 | 229 | if(ss(iy)==0.0d0) cycle | ||
761 | 230 | term=ss(iy) | ||
762 | 231 | do iprod=istart, istart+npoly | ||
763 | 232 | if(iprod==iy) cycle | ||
764 | 233 | term=term*(zz-tt(iprod))/(tt(iy)-tt(iprod)) | ||
765 | 234 | end do | ||
766 | 235 | sum=sum+term | ||
767 | 236 | end do | ||
768 | 237 | ss(1)=sum | ||
769 | 238 | |||
770 | 239 | end if | ||
771 | 240 | |||
772 | 241 | end do | ||
773 | 242 | return | ||
774 | 243 | end subroutine dpnint | ||
775 | 244 | |||
776 | 245 | end module m_hamann | ||
777 | 0 | 246 | ||
778 | === modified file 'Src/ncps/src/m_ncps_reader.f' | |||
779 | --- Src/ncps/src/m_ncps_reader.f 2015-11-25 17:03:59 +0000 | |||
780 | +++ Src/ncps/src/m_ncps_reader.f 2017-02-15 10:54:34 +0000 | |||
781 | @@ -21,6 +21,7 @@ | |||
782 | 21 | use m_ncps_froyen_reader, only: pseudo_reparametrize | 21 | use m_ncps_froyen_reader, only: pseudo_reparametrize |
783 | 22 | use m_ncps_writers, only: pseudo_write_formatted | 22 | use m_ncps_writers, only: pseudo_write_formatted |
784 | 23 | use m_psml, only: psml_t => ps_t | 23 | use m_psml, only: psml_t => ps_t |
785 | 24 | use m_psml, only: ps_GetUUID | ||
786 | 24 | 25 | ||
787 | 25 | character(len=*), intent(in) :: label | 26 | character(len=*), intent(in) :: label |
788 | 26 | type(pseudopotential_t) :: p | 27 | type(pseudopotential_t) :: p |
789 | @@ -82,6 +83,7 @@ | |||
790 | 82 | . 'Reading pseudopotential from: ', trim(fname) | 83 | . 'Reading pseudopotential from: ', trim(fname) |
791 | 83 | call pseudo_read_psml(fname,p,psml_handle, | 84 | call pseudo_read_psml(fname,p,psml_handle, |
792 | 84 | $ reparametrize,a,b,rmax) | 85 | $ reparametrize,a,b,rmax) |
793 | 86 | write(6,"(a)") "PSML uuid: " // ps_GetUUID(psml_handle) | ||
794 | 85 | has_psml_ps = .true. | 87 | has_psml_ps = .true. |
795 | 86 | else | 88 | else |
796 | 87 | write(6,'(2a,a)') 'pseudo_read: ERROR: ', | 89 | write(6,'(2a,a)') 'pseudo_read: ERROR: ', |
797 | 88 | 90 | ||
798 | === removed file 'Src/psoplib/src/flib_spline.f90' | |||
799 | --- Src/psoplib/src/flib_spline.f90 2015-06-09 13:34:25 +0000 | |||
800 | +++ Src/psoplib/src/flib_spline.f90 1970-01-01 00:00:00 +0000 | |||
801 | @@ -1,257 +0,0 @@ | |||
802 | 1 | module flib_spline | ||
803 | 2 | ! | ||
804 | 3 | ! Spline interpolation, based on code in "Numerical Recipes" | ||
805 | 4 | ! | ||
806 | 5 | |||
807 | 6 | implicit none | ||
808 | 7 | |||
809 | 8 | integer, parameter, private :: dp = selected_real_kind(14,100) | ||
810 | 9 | integer, parameter, private :: sp = selected_real_kind(5,10) | ||
811 | 10 | |||
812 | 11 | private | ||
813 | 12 | |||
814 | 13 | public :: generate_spline | ||
815 | 14 | interface generate_spline | ||
816 | 15 | module procedure generate_spline_sp | ||
817 | 16 | module procedure generate_spline_dp | ||
818 | 17 | end interface generate_spline | ||
819 | 18 | |||
820 | 19 | public :: evaluate_spline | ||
821 | 20 | interface evaluate_spline | ||
822 | 21 | module procedure evaluate_spline_sp | ||
823 | 22 | module procedure evaluate_spline_dp | ||
824 | 23 | end interface evaluate_spline | ||
825 | 24 | |||
826 | 25 | |||
827 | 26 | private :: generate_spline_sp | ||
828 | 27 | private :: generate_spline_dp | ||
829 | 28 | private :: evaluate_spline_sp | ||
830 | 29 | private :: evaluate_spline_dp | ||
831 | 30 | |||
832 | 31 | CONTAINS !================= | ||
833 | 32 | |||
834 | 33 | SUBROUTINE generate_spline_sp(X,Y,N,Y2,YP1,YPN,stat) | ||
835 | 34 | ! | ||
836 | 35 | ! Given arrays x and y of size n, this routine computes | ||
837 | 36 | ! an array y2 holding information about the second derivative | ||
838 | 37 | ! of the interpolating spline. YP1 and YPN, if present, are the | ||
839 | 38 | ! requested values of the first derivative of the spline at the | ||
840 | 39 | ! end points. If not given, a "natural" spline with zero second | ||
841 | 40 | ! derivative at the extremes is constructed. | ||
842 | 41 | ! The array y2 is needed to evaluate the spline, but it only needs | ||
843 | 42 | ! to be computed once. | ||
844 | 43 | ! | ||
845 | 44 | integer, intent(in) :: n | ||
846 | 45 | real(kind=sp), dimension(:), intent(in) :: x, y | ||
847 | 46 | real(kind=sp), dimension(:), intent(out) :: y2 | ||
848 | 47 | real(kind=sp), intent(in), optional :: yp1, ypn | ||
849 | 48 | integer, intent(out), optional :: stat | ||
850 | 49 | |||
851 | 50 | real(kind=sp) :: P,QN,SIG,UN | ||
852 | 51 | INTEGER :: I,K | ||
853 | 52 | integer :: flag | ||
854 | 53 | |||
855 | 54 | real(kind=sp), parameter :: zero = 0.0_sp, & | ||
856 | 55 | half = 0.5_sp, & | ||
857 | 56 | one = 1.0_sp, & | ||
858 | 57 | two = 2.0_sp, & | ||
859 | 58 | three= 3.0_sp, & | ||
860 | 59 | six = 6.0_sp | ||
861 | 60 | |||
862 | 61 | real(kind=sp), dimension(n) :: U ! Automatic array | ||
863 | 62 | |||
864 | 63 | !-------------------------------------------------------- | ||
865 | 64 | ! Check that the nodes are different | ||
866 | 65 | ! | ||
867 | 66 | flag = 0 | ||
868 | 67 | do i =2, n | ||
869 | 68 | if (x(i) == x(i-1)) then | ||
870 | 69 | flag = -1 | ||
871 | 70 | if (present(stat)) stat = flag | ||
872 | 71 | RETURN | ||
873 | 72 | endif | ||
874 | 73 | enddo | ||
875 | 74 | |||
876 | 75 | IF (present(YP1)) THEN | ||
877 | 76 | Y2(1) = -half | ||
878 | 77 | U(1) = (three/ (X(2)-X(1)))* ((Y(2)-Y(1))/ (X(2)-X(1))-YP1) | ||
879 | 78 | ELSE | ||
880 | 79 | Y2(1) = zero | ||
881 | 80 | U(1) = zero | ||
882 | 81 | END IF | ||
883 | 82 | |||
884 | 83 | DO I = 2,N - 1 | ||
885 | 84 | SIG = (X(I)-X(I-1))/ (X(I+1)-X(I-1)) | ||
886 | 85 | P = SIG*Y2(I-1) + two | ||
887 | 86 | Y2(I) = (SIG-one)/P | ||
888 | 87 | U(I) = ( six * ((Y(I+1)-Y(I))/ (X(I+1)-X(I))- (Y(I)-Y(I-1))/ & | ||
889 | 88 | (X(I)-X(I-1)))/ (X(I+1)-X(I-1))-SIG*U(I-1))/P | ||
890 | 89 | enddo | ||
891 | 90 | IF (present(YPN)) THEN | ||
892 | 91 | QN = half | ||
893 | 92 | UN = (three/(X(N)-X(N-1)))* (YPN - (Y(N)-Y(N-1))/ (X(N)-X(N-1))) | ||
894 | 93 | ELSE | ||
895 | 94 | QN = zero | ||
896 | 95 | UN = zero | ||
897 | 96 | END IF | ||
898 | 97 | |||
899 | 98 | Y2(N) = (UN-QN*U(N-1))/ (QN*Y2(N-1) + one) | ||
900 | 99 | DO K = N-1 , 1 , -1 | ||
901 | 100 | Y2(K) = Y2(K)*Y2(K+1) + U(K) | ||
902 | 101 | enddo | ||
903 | 102 | |||
904 | 103 | if (present(stat)) stat = flag | ||
905 | 104 | |||
906 | 105 | end subroutine generate_spline_sp | ||
907 | 106 | |||
908 | 107 | !.............................................. | ||
909 | 108 | SUBROUTINE generate_spline_dp(X,Y,N,Y2,YP1,YPN,stat) | ||
910 | 109 | ! | ||
911 | 110 | ! Given arrays x and y of size n, this routine computes | ||
912 | 111 | ! an array y2 holding information about the second derivative | ||
913 | 112 | ! of the interpolating spline. YP1 and YPN, if present, are the | ||
914 | 113 | ! requested values of the first derivative of the spline at the | ||
915 | 114 | ! end points. If not given, a "natural" spline with zero second | ||
916 | 115 | ! derivative at the extremes is constructed. | ||
917 | 116 | ! The array y2 is needed to evaluate the spline, but it only needs | ||
918 | 117 | ! to be computed once. | ||
919 | 118 | ! | ||
920 | 119 | integer, intent(in) :: n | ||
921 | 120 | real(kind=dp), dimension(:), intent(in) :: x, y | ||
922 | 121 | real(kind=dp), dimension(:), intent(out) :: y2 | ||
923 | 122 | real(kind=dp), intent(in), optional :: yp1, ypn | ||
924 | 123 | integer, intent(out), optional :: stat | ||
925 | 124 | |||
926 | 125 | real(kind=dp) :: P,QN,SIG,UN | ||
927 | 126 | INTEGER :: I,K | ||
928 | 127 | integer :: flag | ||
929 | 128 | |||
930 | 129 | real(kind=dp), parameter :: zero = 0.0_dp, & | ||
931 | 130 | half = 0.5_dp, & | ||
932 | 131 | one = 1.0_dp, & | ||
933 | 132 | two = 2.0_dp, & | ||
934 | 133 | three= 3.0_dp, & | ||
935 | 134 | six = 6.0_dp | ||
936 | 135 | |||
937 | 136 | real(kind=dp), dimension(n) :: U ! Automatic array | ||
938 | 137 | |||
939 | 138 | !-------------------------------------------------------- | ||
940 | 139 | ! Check that the nodes are different | ||
941 | 140 | ! | ||
942 | 141 | flag = 0 | ||
943 | 142 | do i =2, n | ||
944 | 143 | if (x(i) == x(i-1)) then | ||
945 | 144 | flag = -1 | ||
946 | 145 | if (present(stat)) stat = flag | ||
947 | 146 | RETURN | ||
948 | 147 | endif | ||
949 | 148 | enddo | ||
950 | 149 | |||
951 | 150 | IF (present(YP1)) THEN | ||
952 | 151 | Y2(1) = -half | ||
953 | 152 | U(1) = (three/ (X(2)-X(1)))* ((Y(2)-Y(1))/ (X(2)-X(1))-YP1) | ||
954 | 153 | ELSE | ||
955 | 154 | Y2(1) = zero | ||
956 | 155 | U(1) = zero | ||
957 | 156 | END IF | ||
958 | 157 | |||
959 | 158 | DO I = 2,N - 1 | ||
960 | 159 | SIG = (X(I)-X(I-1))/ (X(I+1)-X(I-1)) | ||
961 | 160 | P = SIG*Y2(I-1) + two | ||
962 | 161 | Y2(I) = (SIG-one)/P | ||
963 | 162 | U(I) = ( six * ((Y(I+1)-Y(I))/ (X(I+1)-X(I))- (Y(I)-Y(I-1))/ & | ||
964 | 163 | (X(I)-X(I-1)))/ (X(I+1)-X(I-1))-SIG*U(I-1))/P | ||
965 | 164 | enddo | ||
966 | 165 | IF (present(YPN)) THEN | ||
967 | 166 | QN = half | ||
968 | 167 | UN = (three/(X(N)-X(N-1)))* (YPN - (Y(N)-Y(N-1))/ (X(N)-X(N-1))) | ||
969 | 168 | ELSE | ||
970 | 169 | QN = zero | ||
971 | 170 | UN = zero | ||
972 | 171 | END IF | ||
973 | 172 | |||
974 | 173 | Y2(N) = (UN-QN*U(N-1))/ (QN*Y2(N-1) + one) | ||
975 | 174 | DO K = N-1 , 1 , -1 | ||
976 | 175 | Y2(K) = Y2(K)*Y2(K+1) + U(K) | ||
977 | 176 | enddo | ||
978 | 177 | |||
979 | 178 | if (present(stat)) stat = flag | ||
980 | 179 | |||
981 | 180 | end subroutine generate_spline_dp | ||
982 | 181 | |||
983 | 182 | !.............................................. | ||
984 | 183 | !------------------------------------------------ | ||
985 | 184 | SUBROUTINE evaluate_spline_sp(XA,YA,Y2A,N,X,Y) | ||
986 | 185 | ! | ||
987 | 186 | ! Given arrays xa and ya of size n, and an array y2a computed | ||
988 | 187 | ! previously by routine spline, this routine computes the value | ||
989 | 188 | ! at x of the interpolating spline. The value is returned in y. | ||
990 | 189 | ! | ||
991 | 190 | integer, intent(in) :: n | ||
992 | 191 | real(kind=sp), dimension(:), intent(in) :: xa, ya, y2a | ||
993 | 192 | real(kind=sp), intent(in) :: x | ||
994 | 193 | real(kind=sp), intent(out) :: y | ||
995 | 194 | |||
996 | 195 | |||
997 | 196 | real(kind=sp) :: A,B,H | ||
998 | 197 | integer :: K,KHI,KLO | ||
999 | 198 | |||
1000 | 199 | KLO = 1 | ||
1001 | 200 | KHI = N | ||
1002 | 201 | do | ||
1003 | 202 | IF (KHI-KLO <= 1) exit | ||
1004 | 203 | K = (KHI+KLO)/2 | ||
1005 | 204 | IF (XA(K) > X) THEN | ||
1006 | 205 | KHI = K | ||
1007 | 206 | ELSE | ||
1008 | 207 | KLO = K | ||
1009 | 208 | END IF | ||
1010 | 209 | enddo | ||
1011 | 210 | |||
1012 | 211 | H = XA(KHI) - XA(KLO) | ||
1013 | 212 | |||
1014 | 213 | A = (XA(KHI)-X)/H | ||
1015 | 214 | B = (X-XA(KLO))/H | ||
1016 | 215 | Y = A*YA(KLO) + B*YA(KHI) + ((A**3-A)*Y2A(KLO)+ & | ||
1017 | 216 | (B**3-B)*Y2A(KHI))* (H**2)/6.0_sp | ||
1018 | 217 | |||
1019 | 218 | end subroutine evaluate_spline_sp | ||
1020 | 219 | !.............................................. | ||
1021 | 220 | SUBROUTINE evaluate_spline_dp(XA,YA,Y2A,N,X,Y) | ||
1022 | 221 | ! | ||
1023 | 222 | ! Given arrays xa and ya of size n, and an array y2a computed | ||
1024 | 223 | ! previously by routine spline, this routine computes the value | ||
1025 | 224 | ! at x of the interpolating spline. The value is returned in y. | ||
1026 | 225 | ! | ||
1027 | 226 | integer, intent(in) :: n | ||
1028 | 227 | real(kind=dp), dimension(:), intent(in) :: xa, ya, y2a | ||
1029 | 228 | real(kind=dp), intent(in) :: x | ||
1030 | 229 | real(kind=dp), intent(out) :: y | ||
1031 | 230 | |||
1032 | 231 | |||
1033 | 232 | real(kind=dp) :: A,B,H | ||
1034 | 233 | integer :: K,KHI,KLO | ||
1035 | 234 | |||
1036 | 235 | KLO = 1 | ||
1037 | 236 | KHI = N | ||
1038 | 237 | do | ||
1039 | 238 | IF (KHI-KLO <= 1) exit | ||
1040 | 239 | K = (KHI+KLO)/2 | ||
1041 | 240 | IF (XA(K) > X) THEN | ||
1042 | 241 | KHI = K | ||
1043 | 242 | ELSE | ||
1044 | 243 | KLO = K | ||
1045 | 244 | END IF | ||
1046 | 245 | enddo | ||
1047 | 246 | |||
1048 | 247 | H = XA(KHI) - XA(KLO) | ||
1049 | 248 | |||
1050 | 249 | A = (XA(KHI)-X)/H | ||
1051 | 250 | B = (X-XA(KLO))/H | ||
1052 | 251 | Y = A*YA(KLO) + B*YA(KHI) + ((A**3-A)*Y2A(KLO)+ & | ||
1053 | 252 | (B**3-B)*Y2A(KHI))* (H**2)/6.0_dp | ||
1054 | 253 | |||
1055 | 254 | end subroutine evaluate_spline_dp | ||
1056 | 255 | !.............................................. | ||
1057 | 256 | !------------------------------------------------ | ||
1058 | 257 | end module flib_spline | ||
1059 | 258 | 0 | ||
1060 | === removed file 'Src/psoplib/src/m_interpol.F90' | |||
1061 | --- Src/psoplib/src/m_interpol.F90 2015-06-09 13:34:25 +0000 | |||
1062 | +++ Src/psoplib/src/m_interpol.F90 1970-01-01 00:00:00 +0000 | |||
1063 | @@ -1,189 +0,0 @@ | |||
1064 | 1 | module m_interpol | ||
1065 | 2 | |||
1066 | 3 | implicit none | ||
1067 | 4 | |||
1068 | 5 | ! | ||
1069 | 6 | ! Implements simple polynomial interpolation | ||
1070 | 7 | ! | ||
1071 | 8 | public :: interpolate | ||
1072 | 9 | private | ||
1073 | 10 | |||
1074 | 11 | integer, parameter :: dp = selected_real_kind(10,100) | ||
1075 | 12 | |||
1076 | 13 | CONTAINS | ||
1077 | 14 | |||
1078 | 15 | subroutine interpolate(x,y,r,val,npoint,debug) | ||
1079 | 16 | real(dp), intent(in) :: x(:), y(:) | ||
1080 | 17 | real(dp), intent(in) :: r | ||
1081 | 18 | real(dp), intent(out):: val | ||
1082 | 19 | integer, intent(in) :: npoint | ||
1083 | 20 | logical, intent(in), optional :: debug | ||
1084 | 21 | |||
1085 | 22 | integer, save :: i0 | ||
1086 | 23 | integer :: npts, nmin, nmax, nn, i | ||
1087 | 24 | !!integer, parameter :: npoint = 2 ! basis for interpolation order | ||
1088 | 25 | real(dp) :: dy | ||
1089 | 26 | |||
1090 | 27 | npts = size(x) | ||
1091 | 28 | if (size(y) /= npts) call die("x and y not conformable in interpolate") | ||
1092 | 29 | |||
1093 | 30 | ! Find closest point in x array so that x(i0) < r | ||
1094 | 31 | call hunt(x,npts,r,i0) | ||
1095 | 32 | ! | ||
1096 | 33 | ! Choose points to interpolate over. | ||
1097 | 34 | ! At the extremes of the range we get quadratic interpolation | ||
1098 | 35 | ! The maximum order is 2*npoint + 1 (cuartic polynomial) | ||
1099 | 36 | ! It is in principle possible to extrapolate, but with reduced | ||
1100 | 37 | ! order (and all the dangers pertaining to extrapolation!) | ||
1101 | 38 | ! | ||
1102 | 39 | nmin=max(1,i0-npoint) | ||
1103 | 40 | nmax=min(npts,i0+npoint) | ||
1104 | 41 | nn=nmax-nmin+1 | ||
1105 | 42 | ! | ||
1106 | 43 | call polint(x(nmin:),y(nmin:),nn,r,val,dy) | ||
1107 | 44 | |||
1108 | 45 | if (present(debug)) then | ||
1109 | 46 | if (debug) then | ||
1110 | 47 | print "(a,/,2g20.10,3i3,g20.10)", & | ||
1111 | 48 | "r ,r-x(i0), i0, nmin, nmax, d: ", & | ||
1112 | 49 | r, r-x(i0), i0, nmin, nmax, dy | ||
1113 | 50 | do i=0, nn-1 | ||
1114 | 51 | print *, "x, y: ", x(nmin+i), y(nmin+i) | ||
1115 | 52 | enddo | ||
1116 | 53 | endif | ||
1117 | 54 | endif | ||
1118 | 55 | end subroutine interpolate | ||
1119 | 56 | |||
1120 | 57 | SUBROUTINE hunt(xx,n,x,jlo) | ||
1121 | 58 | INTEGER jlo,n | ||
1122 | 59 | REAL(dp), intent(in) :: x,xx(n) | ||
1123 | 60 | |||
1124 | 61 | INTEGER inc,jhi,jm | ||
1125 | 62 | LOGICAL ascnd | ||
1126 | 63 | ascnd=xx(n).ge.xx(1) | ||
1127 | 64 | if(jlo.le.0.or.jlo.gt.n)then | ||
1128 | 65 | jlo=0 | ||
1129 | 66 | jhi=n+1 | ||
1130 | 67 | goto 3 | ||
1131 | 68 | endif | ||
1132 | 69 | inc=1 | ||
1133 | 70 | if(x.ge.xx(jlo).eqv.ascnd)then | ||
1134 | 71 | 1 jhi=jlo+inc | ||
1135 | 72 | if(jhi.gt.n)then | ||
1136 | 73 | jhi=n+1 | ||
1137 | 74 | else if(x.ge.xx(jhi).eqv.ascnd)then | ||
1138 | 75 | jlo=jhi | ||
1139 | 76 | inc=inc+inc | ||
1140 | 77 | goto 1 | ||
1141 | 78 | endif | ||
1142 | 79 | else | ||
1143 | 80 | jhi=jlo | ||
1144 | 81 | 2 jlo=jhi-inc | ||
1145 | 82 | if(jlo.lt.1)then | ||
1146 | 83 | jlo=0 | ||
1147 | 84 | else if(x.lt.xx(jlo).eqv.ascnd)then | ||
1148 | 85 | jhi=jlo | ||
1149 | 86 | inc=inc+inc | ||
1150 | 87 | goto 2 | ||
1151 | 88 | endif | ||
1152 | 89 | endif | ||
1153 | 90 | 3 if(jhi-jlo.eq.1)then | ||
1154 | 91 | if(x.eq.xx(n))jlo=n-1 | ||
1155 | 92 | if(x.eq.xx(1))jlo=1 | ||
1156 | 93 | return | ||
1157 | 94 | endif | ||
1158 | 95 | jm=(jhi+jlo)/2 | ||
1159 | 96 | if(x.ge.xx(jm).eqv.ascnd)then | ||
1160 | 97 | jlo=jm | ||
1161 | 98 | else | ||
1162 | 99 | jhi=jm | ||
1163 | 100 | endif | ||
1164 | 101 | goto 3 | ||
1165 | 102 | END SUBROUTINE hunt | ||
1166 | 103 | ! (C) Copr. 1986-92 Numerical Recipes Software | ||
1167 | 104 | |||
1168 | 105 | SUBROUTINE POLINT(XA,YA,N,X,Y,DY) | ||
1169 | 106 | !***************************************************************** | ||
1170 | 107 | ! Polynomial interpolation. Modified and adapted to double | ||
1171 | 108 | ! precision from same routine of Numerical Recipes. | ||
1172 | 109 | ! D. Sanchez-Portal, Oct. 1996 | ||
1173 | 110 | !***************************************************************** | ||
1174 | 111 | ! Input: | ||
1175 | 112 | ! real*8 XA(N) : x values of the function y(x) to interpolate | ||
1176 | 113 | ! real*8 YA(N) : y values of the function y(x) to interpolate | ||
1177 | 114 | ! integer N : Number of data points | ||
1178 | 115 | ! real*8 X : x value at which the interpolation is desired | ||
1179 | 116 | ! Output: | ||
1180 | 117 | ! real*8 Y : interpolated value of y(x) at X | ||
1181 | 118 | ! real*8 DY : accuracy estimate | ||
1182 | 119 | !***************************************************************** | ||
1183 | 120 | |||
1184 | 121 | IMPLICIT NONE | ||
1185 | 122 | INTEGER :: N | ||
1186 | 123 | REAL(dp) :: XA(N),YA(N), X, Y, DY | ||
1187 | 124 | |||
1188 | 125 | INTEGER :: I, M, NS | ||
1189 | 126 | REAL(dp) :: C(N), D(N), DEN, DIF, DIFT, HO, HP, W | ||
1190 | 127 | REAL(dp), PARAMETER :: ZERO=0.D0 | ||
1191 | 128 | |||
1192 | 129 | NS=1 | ||
1193 | 130 | DIF=ABS(X-XA(1)) | ||
1194 | 131 | DO I=1,N | ||
1195 | 132 | DIFT=ABS(X-XA(I)) | ||
1196 | 133 | IF (DIFT.LT.DIF) THEN | ||
1197 | 134 | NS=I | ||
1198 | 135 | DIF=DIFT | ||
1199 | 136 | ENDIF | ||
1200 | 137 | C(I)=YA(I) | ||
1201 | 138 | D(I)=YA(I) | ||
1202 | 139 | END DO ! I | ||
1203 | 140 | Y=YA(NS) | ||
1204 | 141 | NS=NS-1 | ||
1205 | 142 | DO M=1,N-1 | ||
1206 | 143 | DO I=1,N-M | ||
1207 | 144 | HO=XA(I)-X | ||
1208 | 145 | HP=XA(I+M)-X | ||
1209 | 146 | W=C(I+1)-D(I) | ||
1210 | 147 | DEN=HO-HP | ||
1211 | 148 | IF (DEN.EQ.ZERO) call die('polint: ERROR. Two XAs are equal') | ||
1212 | 149 | DEN=W/DEN | ||
1213 | 150 | D(I)=HP*DEN | ||
1214 | 151 | C(I)=HO*DEN | ||
1215 | 152 | END DO ! I | ||
1216 | 153 | IF (2*NS.LT.N-M) THEN | ||
1217 | 154 | DY=C(NS+1) | ||
1218 | 155 | ELSE | ||
1219 | 156 | DY=D(NS) | ||
1220 | 157 | NS=NS-1 | ||
1221 | 158 | ENDIF | ||
1222 | 159 | Y=Y+DY | ||
1223 | 160 | END DO ! M | ||
1224 | 161 | |||
1225 | 162 | END SUBROUTINE POLINT | ||
1226 | 163 | |||
1227 | 164 | end module m_interpol | ||
1228 | 165 | |||
1229 | 166 | #ifdef __TEST__ | ||
1230 | 167 | program test_interp | ||
1231 | 168 | use m_interpol | ||
1232 | 169 | integer, parameter :: dp = selected_real_kind(10,100) | ||
1233 | 170 | real(dp) :: x(7) = (/ ((i-1)*0.15, i=1,7) /) | ||
1234 | 171 | real(dp) :: y(7) | ||
1235 | 172 | real(dp) :: xi, vi, v | ||
1236 | 173 | y = sin(x) | ||
1237 | 174 | do | ||
1238 | 175 | print *, "Enter value x in [0,0.9]" | ||
1239 | 176 | read *, xi | ||
1240 | 177 | call interpolate(x,y,xi,vi,npoint=3,debug=.true.) | ||
1241 | 178 | v = sin(xi) | ||
1242 | 179 | print "(a,2f15.8,g20.10)", "Interp, true, diff: ", vi, v, (vi-v) | ||
1243 | 180 | enddo | ||
1244 | 181 | end program test_interp | ||
1245 | 182 | |||
1246 | 183 | subroutine die(str) | ||
1247 | 184 | character(len=*), intent(in) :: str | ||
1248 | 185 | write(*,*) str | ||
1249 | 186 | STOP | ||
1250 | 187 | end subroutine die | ||
1251 | 188 | |||
1252 | 189 | #endif | ||
1253 | 190 | 0 | ||
1254 | === modified file 'Src/psoplib/src/m_localgen.f' | |||
1255 | --- Src/psoplib/src/m_localgen.f 2015-06-09 13:34:25 +0000 | |||
1256 | +++ Src/psoplib/src/m_localgen.f 2017-02-15 10:54:34 +0000 | |||
1257 | @@ -3,7 +3,7 @@ | |||
1258 | 3 | 3 | ||
1259 | 4 | implicit none | 4 | implicit none |
1260 | 5 | 5 | ||
1262 | 6 | public :: compute_vlocal_chlocal, chlocal_from_vlocal | 6 | public :: compute_vlocal_chlocal |
1263 | 7 | 7 | ||
1264 | 8 | private | 8 | private |
1265 | 9 | 9 | ||
1266 | @@ -319,17 +319,11 @@ | |||
1267 | 319 | chlocal(1)= -rhor1* zval/qtot | 319 | chlocal(1)= -rhor1* zval/qtot |
1268 | 320 | 320 | ||
1269 | 321 | ! | 321 | ! |
1278 | 322 | ! Test the reversibility | 322 | open(44,file="chlocal.charge",form="formatted") |
1279 | 323 | ! | 323 | write(44,"(a)") "# r chlocal_Siesta (raw)" |
1272 | 324 | call ch_of_vlocal(rofi, vlocal, drdi, s, a, | ||
1273 | 325 | $ nrval, alt_chlocal, | ||
1274 | 326 | $ quadratic=.true.) | ||
1275 | 327 | |||
1276 | 328 | open(44,file="ch_ch.charge",form="formatted") | ||
1277 | 329 | write(44,"(a)") "# r chlocal_Siesta, computed" | ||
1280 | 330 | do ir=2,nrval | 324 | do ir=2,nrval |
1281 | 331 | r=rofi(ir) | 325 | r=rofi(ir) |
1283 | 332 | write(44,"(3f16.10)") r, chlocal(ir), alt_chlocal(ir) | 326 | write(44,"(2f16.10)") r, chlocal(ir) |
1284 | 333 | enddo | 327 | enddo |
1285 | 334 | close(44) | 328 | close(44) |
1286 | 335 | 329 | ||
1287 | @@ -558,16 +552,11 @@ | |||
1288 | 558 | endif | 552 | endif |
1289 | 559 | enddo | 553 | enddo |
1290 | 560 | 554 | ||
1298 | 561 | ! get simply chlocal with an alternative method | 555 | open(44,file="chlocal.fit",form="formatted") |
1299 | 562 | call ch_of_vlocal(rofi, vlocal, drdi, s, a, | 556 | write(44,"(a)") "# r chlocal_Siesta (raw)" |
1293 | 563 | $ nrval, alt_chlocal, | ||
1294 | 564 | $ quadratic=.false.) | ||
1295 | 565 | |||
1296 | 566 | open(44,file="ch_ch.fit",form="formatted") | ||
1297 | 567 | write(44,"(a)") "# r chlocal_Siesta, computed" | ||
1300 | 568 | do ir=2,nrval | 557 | do ir=2,nrval |
1301 | 569 | r=rofi(ir) | 558 | r=rofi(ir) |
1303 | 570 | write(44,"(3f16.10)") r, chlocal(ir), alt_chlocal(ir) | 559 | write(44,"(2f16.10)") r, chlocal(ir) |
1304 | 571 | enddo | 560 | enddo |
1305 | 572 | close(44) | 561 | close(44) |
1306 | 573 | 562 | ||
1307 | @@ -635,292 +624,6 @@ | |||
1308 | 635 | 624 | ||
1309 | 636 | end subroutine vlocal_as_fit | 625 | end subroutine vlocal_as_fit |
1310 | 637 | 626 | ||
1311 | 638 | subroutine chlocal_from_vlocal(rofi, vlocal, drdi, s, a, nrval, | ||
1312 | 639 | $ Zval, nchloc, chlocal, | ||
1313 | 640 | $ use_charge_cutoff,quadratic) | ||
1314 | 641 | |||
1315 | 642 | ! This is a general version, which does not use | ||
1316 | 643 | ! the details of the fit for r < rgauss | ||
1317 | 644 | ! It should work for an arbitrary vlocal | ||
1318 | 645 | |||
1319 | 646 | real(dp), intent(in) :: rofi(:), drdi(:), s(:), vlocal(:) | ||
1320 | 647 | real(dp), intent(in) :: a, Zval | ||
1321 | 648 | integer, intent(in) :: nrval | ||
1322 | 649 | real(dp), intent(out) :: chlocal(:) | ||
1323 | 650 | integer, intent(out) :: nchloc | ||
1324 | 651 | ! Option for compatibility | ||
1325 | 652 | logical, intent(in) :: use_charge_cutoff | ||
1326 | 653 | logical, intent(in) :: quadratic | ||
1327 | 654 | |||
1328 | 655 | ! local variables | ||
1329 | 656 | |||
1330 | 657 | real(dp), parameter :: eps=1.0d-5 | ||
1331 | 658 | real(dp), parameter :: eps_charge=1.0d-4 ! To match | ||
1332 | 659 | real(dp) :: qtot, charge | ||
1333 | 660 | integer :: ir | ||
1334 | 661 | real(dp), parameter :: pi = 3.14159265358979323846_dp | ||
1335 | 662 | |||
1336 | 663 | integer :: status | ||
1337 | 664 | |||
1338 | 665 | C Once we have the local potential we define the 'local-pseudopotential | ||
1339 | 666 | C charge' which help us to calculate the electrostatic interation | ||
1340 | 667 | C between the ions | ||
1341 | 668 | |||
1342 | 669 | |||
1343 | 670 | call ch_of_vlocal(rofi, vlocal, drdi, s, a, | ||
1344 | 671 | $ nrval, chlocal, quadratic) | ||
1345 | 672 | |||
1346 | 673 | ! | ||
1347 | 674 | ! This is the classic way of computing an effective cutoff | ||
1348 | 675 | ! for chlocal, but it is only a heuristic based on when | ||
1349 | 676 | ! rVlocal equals 2*Zval. There are other criteria, including | ||
1350 | 677 | ! a specific test for smallness of 4pi*r*r*chlocal, as in | ||
1351 | 678 | ! the "vlocal from a localized charge" routine | ||
1352 | 679 | ! | ||
1353 | 680 | do ir = 1, nrval | ||
1354 | 681 | if (abs(rofi(ir)*vlocal(ir)+2.0_dp*zval).lt.eps) exit !exit loop | ||
1355 | 682 | enddo | ||
1356 | 683 | nchloc = ir | ||
1357 | 684 | write(6,"(a,i4,f10.6)") "nchloc from rV+2Z: ", | ||
1358 | 685 | $ nchloc, rofi(nchloc) | ||
1359 | 686 | |||
1360 | 687 | if (use_charge_cutoff) then | ||
1361 | 688 | ! Alternative way to compute nchloc, | ||
1362 | 689 | ! used by Siesta when method="charge" | ||
1363 | 690 | do ir = nrval, 1, -1 | ||
1364 | 691 | charge = 4*pi*rofi(ir)**2 * chlocal(ir) | ||
1365 | 692 | if (abs(charge).gt.eps_charge) exit | ||
1366 | 693 | enddo | ||
1367 | 694 | nchloc=ir+1 | ||
1368 | 695 | write(6,"(a,i4,f10.6)") "nchloc from 4*pi*r*r*chloc: ", | ||
1369 | 696 | $ nchloc, rofi(nchloc) | ||
1370 | 697 | endif | ||
1371 | 698 | |||
1372 | 699 | qtot = 0.0_dp | ||
1373 | 700 | do ir = 1, nchloc-1 | ||
1374 | 701 | qtot = qtot - 4*pi*rofi(ir)**2 * chlocal(ir) * drdi(ir) | ||
1375 | 702 | enddo | ||
1376 | 703 | print *, "qtot in chlocal_from_vlocal up to nchloc: ", qtot | ||
1377 | 704 | |||
1378 | 705 | do ir=1,nchloc-1 | ||
1379 | 706 | chlocal(ir)=zval*chlocal(ir)/qtot | ||
1380 | 707 | enddo | ||
1381 | 708 | do ir=nchloc,nrval | ||
1382 | 709 | chlocal(ir)=0.0_dp | ||
1383 | 710 | enddo | ||
1384 | 711 | |||
1385 | 712 | end subroutine chlocal_from_vlocal | ||
1386 | 713 | |||
1387 | 714 | subroutine ch_of_vlocal(rofi, vlocal, drdi, s, a, | ||
1388 | 715 | $ nrval, chlocal, quadratic) | ||
1389 | 716 | |||
1390 | 717 | use flib_spline | ||
1391 | 718 | use m_interpol, only: interpolate | ||
1392 | 719 | |||
1393 | 720 | ! This is a general version, which | ||
1394 | 721 | ! should work for an arbitrary vlocal | ||
1395 | 722 | |||
1396 | 723 | ! It uses some help from the user, if she knows that the | ||
1397 | 724 | ! behavior of chlocal is quadratic near the origin | ||
1398 | 725 | |||
1399 | 726 | real(dp), intent(in) :: rofi(:), drdi(:), s(:), vlocal(:) | ||
1400 | 727 | real(dp), intent(in) :: a | ||
1401 | 728 | integer, intent(in) :: nrval | ||
1402 | 729 | real(dp), intent(out) :: chlocal(:) | ||
1403 | 730 | logical, intent(in) :: quadratic | ||
1404 | 731 | |||
1405 | 732 | ! local variables | ||
1406 | 733 | |||
1407 | 734 | real(dp) :: pi, r | ||
1408 | 735 | real(dp) :: rmax, delta, a1, b1, x2, splval | ||
1409 | 736 | real(dp) :: delta_1, factor | ||
1410 | 737 | integer :: ir, npts, ninitial, nstep | ||
1411 | 738 | |||
1412 | 739 | real(dp), allocatable :: f(:), f2(:) | ||
1413 | 740 | real(dp), allocatable :: ralt(:), drd1(:), s1(:), | ||
1414 | 741 | $ chlocal_ralt(:) | ||
1415 | 742 | real(dp), allocatable :: chlocal_ralt_spl(:) | ||
1416 | 743 | real(dp), allocatable :: g(:), g2der(:), g2der_spl(:), ch2(:) | ||
1417 | 744 | real(dp), allocatable :: xaux(:) | ||
1418 | 745 | |||
1419 | 746 | integer :: status | ||
1420 | 747 | |||
1421 | 748 | C Once we have the local potential we define the 'local-pseudopotential | ||
1422 | 749 | C charge' which help us to calculate the electrostatic interation | ||
1423 | 750 | C between the ions | ||
1424 | 751 | ! | ||
1425 | 752 | ! Poisson's eq.: | ||
1426 | 753 | ! | ||
1427 | 754 | ! 1/r* d2(rV)/dr2 = -8*pi*rho | ||
1428 | 755 | ! | ||
1429 | 756 | ! Important note: | ||
1430 | 757 | ! | ||
1431 | 758 | ! Near the origin, rho goes like -2*V'/r - V'', so V' must be zero at | ||
1432 | 759 | ! the origin in order for V to be rho-representable! | ||
1433 | 760 | ! | ||
1434 | 761 | ! If V(r) = V_0 + a*r^2 + b*r^3 + c*r^4 near the origin, | ||
1435 | 762 | ! | ||
1436 | 763 | ! 8*pi*rho(r) = -6a - 18b*r -20c*r^2 ... | ||
1437 | 764 | ! | ||
1438 | 765 | ! We could check: | ||
1439 | 766 | ! | ||
1440 | 767 | ! 1. Whether V' is indeed zero near the origin | ||
1441 | 768 | ! 2. Try to estimate a (and maybe b) to help with the extrapolation | ||
1442 | 769 | ! of rho near the origin. | ||
1443 | 770 | ! | ||
1444 | 771 | |||
1445 | 772 | pi=acos(-1.0_dp) | ||
1446 | 773 | |||
1447 | 774 | allocate (f(nrval), f2(nrval)) | ||
1448 | 775 | do ir = 1, nrval | ||
1449 | 776 | f(ir) = rofi(ir)*vlocal(ir) | ||
1450 | 777 | write(44,*) rofi(ir), f(ir) | ||
1451 | 778 | enddo | ||
1452 | 779 | |||
1453 | 780 | ! re-sample the range to avoid very small differences | ||
1454 | 781 | ! Example for linear grid: | ||
1455 | 782 | ! rmax = 10.0_dp | ||
1456 | 783 | ! delta= 0.0002_dp | ||
1457 | 784 | ! npts = rmax/delta + 1 | ||
1458 | 785 | ! npts = 1000 | ||
1459 | 786 | ! ---- | ||
1460 | 787 | ! Empirically it is better to use a logarithmic grid, not so | ||
1461 | 788 | ! fine as the standard atomic one, and with reduced range. | ||
1462 | 789 | ! | ||
1463 | 790 | ! I want Rmax=10 au, | ||
1464 | 791 | rmax = 10.0_dp | ||
1465 | 792 | ! Initial delta_r | ||
1466 | 793 | delta_1 = 2e-4_dp | ||
1467 | 794 | ! expansion factor: 1 to 500: 1.e-1 at the end of the range | ||
1468 | 795 | factor = 500.0_dp | ||
1469 | 796 | |||
1470 | 797 | ! (note exchanged a, b with respect to Siesta usage...) | ||
1471 | 798 | ! We have, approximately: exp(bN) = factor | ||
1472 | 799 | ! ab = delta_1 | ||
1473 | 800 | ! a*exp(bN) = Rmax | ||
1474 | 801 | ! so | ||
1475 | 802 | ! | ||
1476 | 803 | a1 = rmax / factor | ||
1477 | 804 | b1 = delta_1 / a1 | ||
1478 | 805 | npts = log(factor) / b1 | ||
1479 | 806 | |||
1480 | 807 | allocate(ralt(npts), drd1(npts), s1(npts), | ||
1481 | 808 | $ chlocal_ralt(npts)) | ||
1482 | 809 | allocate(g(npts), g2der(npts), ch2(npts)) | ||
1483 | 810 | allocate(g2der_spl(npts), chlocal_ralt_spl(npts)) | ||
1484 | 811 | |||
1485 | 812 | |||
1486 | 813 | ! Two ways of resampling, basically equivalent | ||
1487 | 814 | ! Splines, and polynomial interpolation | ||
1488 | 815 | |||
1489 | 816 | call generate_spline(rofi,f,nrval,f2,stat=status) | ||
1490 | 817 | if (status/=0) call die("error in generate_spline") | ||
1491 | 818 | |||
1492 | 819 | open(55,file="r.rV.rVspl",form="formatted") | ||
1493 | 820 | write(55,"(a)") "# ralt, r*Vlocal (interp), r*Vlocal (spline)" | ||
1494 | 821 | do ir = 1, npts | ||
1495 | 822 | ralt(ir) = a1*(exp(b1*(ir-1)) -1) | ||
1496 | 823 | drd1(ir) = a1*b1*(exp(b1*(ir-1))) | ||
1497 | 824 | s1(ir) = sqrt(drd1(ir)) | ||
1498 | 825 | ! ralt(ir) = (ir-1)*delta ! for linear grid | ||
1499 | 826 | call interpolate(rofi(1:nrval),f,ralt(ir),g(ir),npoint=2) | ||
1500 | 827 | call evaluate_spline(rofi,f,f2,nrval,ralt(ir),splval) | ||
1501 | 828 | write(55,*) ralt(ir), g(ir), splval | ||
1502 | 829 | enddo | ||
1503 | 830 | close(55) | ||
1504 | 831 | |||
1505 | 832 | ! Two ways of computing the second derivative | ||
1506 | 833 | call compute_2nd_der(ralt,b1,drd1,s1,g,npts,g2der,g2der_spl) | ||
1507 | 834 | |||
1508 | 835 | ! Should we trust the second derivative for the points | ||
1509 | 836 | ! near r=0? No. | ||
1510 | 837 | |||
1511 | 838 | open(55,file="r.ch.ch",form="formatted") | ||
1512 | 839 | write(55,"(a)") "# ralt, chlocal_ralt_fd, chlocal_ralt_spline" | ||
1513 | 840 | do ir = 2, npts | ||
1514 | 841 | chlocal_ralt(ir) = - g2der(ir) / (ralt(ir)*8*pi) | ||
1515 | 842 | chlocal_ralt_spl(ir) = - g2der_spl(ir) / (ralt(ir)*8*pi) | ||
1516 | 843 | write(55,*) ralt(ir), chlocal_ralt(ir), chlocal_ralt_spl(ir) | ||
1517 | 844 | enddo | ||
1518 | 845 | close(55) | ||
1519 | 846 | |||
1520 | 847 | ! Now we have chlocal on the alternate grid | ||
1521 | 848 | ! re-sample back to the original logarithmic grid | ||
1522 | 849 | |||
1523 | 850 | call generate_spline(ralt(2:npts),chlocal_ralt_spl(2:npts), | ||
1524 | 851 | $ npts-1,ch2,stat=status) | ||
1525 | 852 | if (status/=0) call die("error in generate_spline") | ||
1526 | 853 | |||
1527 | 854 | if (quadratic) then | ||
1528 | 855 | allocate(xaux(npts)) | ||
1529 | 856 | xaux(:) = ralt(:)**2 | ||
1530 | 857 | endif | ||
1531 | 858 | |||
1532 | 859 | ! Experimentally, it is better to use the spline data | ||
1533 | 860 | ! | ||
1534 | 861 | do ir = 1, nrval | ||
1535 | 862 | if (rofi(ir) > rmax) then | ||
1536 | 863 | chlocal(ir) = 0.0_dp | ||
1537 | 864 | else if (rofi(ir) > ralt(5)) then | ||
1538 | 865 | call evaluate_spline(ralt(2:npts), | ||
1539 | 866 | $ chlocal_ralt_spl(2:npts),ch2,npts-1, | ||
1540 | 867 | $ rofi(ir),chlocal(ir)) | ||
1541 | 868 | else | ||
1542 | 869 | ! The region near r=0 is tricky | ||
1543 | 870 | ! We have to use some heuristics | ||
1544 | 871 | if (quadratic) then | ||
1545 | 872 | ninitial = 4 | ||
1546 | 873 | nstep = 2 | ||
1547 | 874 | x2 = rofi(ir)**2 | ||
1548 | 875 | call interpolate(xaux(ninitial:npts:nstep), | ||
1549 | 876 | $ chlocal_ralt_spl(ninitial:npts:nstep), | ||
1550 | 877 | $ x2,chlocal(ir),npoint=2) | ||
1551 | 878 | else | ||
1552 | 879 | ninitial = 5 | ||
1553 | 880 | nstep = 3 | ||
1554 | 881 | call interpolate(ralt(ninitial:npts:nstep), | ||
1555 | 882 | $ chlocal_ralt_spl(ninitial:npts:nstep), | ||
1556 | 883 | $ rofi(ir),chlocal(ir),npoint=3) | ||
1557 | 884 | endif | ||
1558 | 885 | endif | ||
1559 | 886 | enddo | ||
1560 | 887 | |||
1561 | 888 | CONTAINS | ||
1562 | 889 | |||
1563 | 890 | subroutine compute_2nd_der(ralt,b1,drd1,s1,g,npts, | ||
1564 | 891 | $ g2der,g2der_spl) | ||
1565 | 892 | real(dp), intent(in) :: ralt(:), drd1(:), s1(:), g(:) | ||
1566 | 893 | real(dp), intent(in) :: b1 | ||
1567 | 894 | integer, intent(in) :: npts | ||
1568 | 895 | real(dp), intent(out):: g2der(:) | ||
1569 | 896 | real(dp), intent(out):: g2der_spl(:) | ||
1570 | 897 | |||
1571 | 898 | integer :: status, ir | ||
1572 | 899 | real(dp) :: d2g, d2u, g1, g2, g3, a2b4 | ||
1573 | 900 | |||
1574 | 901 | call generate_spline(ralt,g,npts,g2der_spl,stat=status) | ||
1575 | 902 | if (status/=0) call die("error in generate_spline") | ||
1576 | 903 | |||
1577 | 904 | ! This section for finite-difference derivative | ||
1578 | 905 | ! (it seems to have problems near the origin) | ||
1579 | 906 | |||
1580 | 907 | a2b4 = 0.25_dp * b1*b1 ! note exchange a-b with respect to Siesta | ||
1581 | 908 | |||
1582 | 909 | do ir = 2, npts-1 | ||
1583 | 910 | g1=g(ir-1)/s1(ir-1) | ||
1584 | 911 | g2=g(ir)/s1(ir) | ||
1585 | 912 | g3=g(ir+1)/s1(ir+1) | ||
1586 | 913 | |||
1587 | 914 | d2g=g1+g3-2.0_dp*g2 | ||
1588 | 915 | d2u=d2g-a2b4*g2 | ||
1589 | 916 | g2der(ir) = d2u / (drd1(ir)*s1(ir)) | ||
1590 | 917 | enddo | ||
1591 | 918 | g2der(npts) = 0.0_dp | ||
1592 | 919 | |||
1593 | 920 | end subroutine compute_2nd_der | ||
1594 | 921 | |||
1595 | 922 | end subroutine ch_of_vlocal | ||
1596 | 923 | |||
1597 | 924 | !-------------------------------------------------------------- | 627 | !-------------------------------------------------------------- |
1598 | 925 | ! | 628 | ! |
1599 | 926 | ! The famous "Vanderbilt generalized cutoff" | 629 | ! The famous "Vanderbilt generalized cutoff" |
1600 | 927 | 630 | ||
1601 | === modified file 'Src/psoplib/src/m_psop.f90' | |||
1602 | --- Src/psoplib/src/m_psop.f90 2015-06-09 13:34:25 +0000 | |||
1603 | +++ Src/psoplib/src/m_psop.f90 2017-02-15 10:54:34 +0000 | |||
1604 | @@ -1,6 +1,6 @@ | |||
1605 | 1 | module m_psop | 1 | module m_psop |
1606 | 2 | use m_kbgen, only: kbgen | 2 | use m_kbgen, only: kbgen |
1608 | 3 | use m_localgen, only: compute_vlocal_chlocal, chlocal_from_vlocal | 3 | use m_localgen, only: compute_vlocal_chlocal |
1609 | 4 | use psop_params, only: nkbmx, lmaxd, nrmax | 4 | use psop_params, only: nkbmx, lmaxd, nrmax |
1610 | 5 | public | 5 | public |
1611 | 6 | end module m_psop | 6 | end module m_psop |
1612 | 7 | 7 | ||
1613 | === modified file 'Src/psoplib/src/makefile' | |||
1614 | --- Src/psoplib/src/makefile 2015-06-09 13:34:25 +0000 | |||
1615 | +++ Src/psoplib/src/makefile 2017-02-15 10:54:34 +0000 | |||
1616 | @@ -15,7 +15,7 @@ | |||
1617 | 15 | VPATH=. | 15 | VPATH=. |
1618 | 16 | # | 16 | # |
1619 | 17 | OBJFILES= m_psop.o m_kbgen.o m_localgen.o schrodinger.o arw.o \ | 17 | OBJFILES= m_psop.o m_kbgen.o m_localgen.o schrodinger.o arw.o \ |
1621 | 18 | psop_params.o flib_spline.o m_interpol.o | 18 | psop_params.o |
1622 | 19 | # | 19 | # |
1623 | 20 | INCFLAGS= | 20 | INCFLAGS= |
1624 | 21 | # | 21 | # |
1625 | @@ -31,7 +31,6 @@ | |||
1626 | 31 | # | 31 | # |
1627 | 32 | # DO NOT DELETE THIS LINE - used by make depend | 32 | # DO NOT DELETE THIS LINE - used by make depend |
1628 | 33 | m_kbgen.o: psop_params.o schrodinger.o | 33 | m_kbgen.o: psop_params.o schrodinger.o |
1629 | 34 | m_localgen.o: flib_spline.o m_interpol.o | ||
1630 | 35 | m_psop.o: m_kbgen.o m_localgen.o psop_params.o | 34 | m_psop.o: m_kbgen.o m_localgen.o psop_params.o |
1631 | 36 | schrodinger.o: psop_params.o | 35 | schrodinger.o: psop_params.o |
1632 | 37 | schrodinger_m.o: schrodinger.o | 36 | schrodinger_m.o: schrodinger.o |
1633 | 38 | 37 | ||
1634 | === added file 'Tests/Pseudos/O.tm2-siesta-vnl.psml' | |||
1635 | --- Tests/Pseudos/O.tm2-siesta-vnl.psml 1970-01-01 00:00:00 +0000 | |||
1636 | +++ Tests/Pseudos/O.tm2-siesta-vnl.psml 2017-02-15 10:54:34 +0000 | |||
1637 | @@ -0,0 +1,3212 @@ | |||
1638 | 1 | <?xml version="1.0" encoding="UTF-8" ?> | ||
1639 | 2 | <psml version="1.0" energy_unit="hartree" length_unit="bohr" | ||
1640 | 3 | uuid="5b3d2f40-ec64-11e6-64a7-41e7ddfb3ee3"> | ||
1641 | 4 | <provenance creator="psop-1.01" date="2017-02-06"> | ||
1642 | 5 | <annotation source-uuid="797d2750-e8a2-11e6-6686-48a1bdef027e" | ||
1643 | 6 | command-line="/Users/ag/L/Siesta/psml-chlocal/Pseudo/vnl-operator/psop -l O.tm2.psml" | ||
1644 | 7 | local-potential="inserted" nonlocal-projectors="inserted" /> | ||
1645 | 8 | </provenance> | ||
1646 | 9 | <provenance creator="ATM4.1.0+rev-87" date=" 1-FEB-17"> | ||
1647 | 10 | <input-file name="INP"> | ||
1648 | 11 | <![CDATA[ pg Oxygen | ||
1649 | 12 | tm2 2.0 | ||
1650 | 13 | n=O c=ca | ||
1651 | 14 | 0.0 0.0 0.0 0.0 0.0 0.0 | ||
1652 | 15 | 1 4 | ||
1653 | 16 | 2 0 2.00 0.00 | ||
1654 | 17 | 2 1 4.00 0.00 | ||
1655 | 18 | 3 2 0.00 0.00 | ||
1656 | 19 | 4 3 0.00 0.00 | ||
1657 | 20 | 1.15 1.15 1.15 1.15 | ||
1658 | 21 | ]]> | ||
1659 | 22 | </input-file> | ||
1660 | 23 | </provenance> | ||
1661 | 24 | <header atomic-label="O" z-pseudo="6" atomic-number="8" | ||
1662 | 25 | flavor="Troullier-Martins" relativity="no" polarized="no" core-corrections="no"> | ||
1663 | 26 | <exchange-correlation> | ||
1664 | 27 | <annotation atom-xc-code="ca" siesta-xc-type="LDA" siesta-xc-authors="CA" /> | ||
1665 | 28 | <libxc-info number-of-functionals="2"> | ||
1666 | 29 | <functional name="XC_LDA_X" type="XC_EXCHANGE" id="1" /> | ||
1667 | 30 | <functional name="XC_LDA_C_PZ" type="XC_CORRELATION" id="9" /> | ||
1668 | 31 | </libxc-info> | ||
1669 | 32 | </exchange-correlation> | ||
1670 | 33 | <valence-configuration total-valence-charge="6"> | ||
1671 | 34 | <shell n="2" l="s" occupation="2" /> | ||
1672 | 35 | <shell n="2" l="p" occupation="4" /> | ||
1673 | 36 | </valence-configuration> | ||
1674 | 37 | </header> | ||
1675 | 38 | <grid npts="1030"> | ||
1676 | 39 | <annotation type="log-atom" nrval="1030" scale="0.309844022083E-03" | ||
1677 | 40 | step="0.125000000000E-01" /> | ||
1678 | 41 | <grid-data> | ||
1679 | 42 | 0.000000000000E+00 3.897358016930E-06 7.843738762812E-06 1.183975886767E-05 | ||
1680 | 43 | 1.588604271777E-05 1.998322255320E-05 2.413193856664E-05 2.833283900341E-05 | ||
1681 | 44 | 3.258658026275E-05 3.689382700039E-05 4.125525223239E-05 4.567153744033E-05 | ||
1682 | 45 | 5.014337267774E-05 5.467145667798E-05 5.925649696339E-05 6.389920995584E-05 | ||
1683 | 46 | 6.860032108868E-05 7.336056492010E-05 7.818068524787E-05 8.306143522560E-05 | ||
1684 | 47 | 8.800357748041E-05 9.300788423208E-05 9.807513741372E-05 1.032061287940E-04 | ||
1685 | 48 | 1.084016601006E-04 1.136625431460E-04 1.189895999539E-04 1.243836628877E-04 | ||
1686 | 49 | 1.298455747807E-04 1.353761890678E-04 1.409763699187E-04 1.466469923730E-04 | ||
1687 | 50 | 1.523889424771E-04 1.582031174223E-04 1.640904256853E-04 1.700517871700E-04 | ||
1688 | 51 | 1.760881333512E-04 1.822004074204E-04 1.883895644327E-04 1.946565714567E-04 | ||
1689 | 52 | 2.010024077247E-04 2.074280647868E-04 2.139345466648E-04 2.205228700098E-04 | ||
1690 | 53 | 2.271940642607E-04 2.339491718053E-04 2.407892481428E-04 2.477153620490E-04 | ||
1691 | 54 | 2.547285957433E-04 2.618300450578E-04 2.690208196084E-04 2.763020429682E-04 | ||
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1695 | 58 | 3.797265305118E-04 3.884002602915E-04 3.971830921608E-04 4.060763984553E-04 | ||
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1698 | 61 | 4.913226586988E-04 5.014000949689E-04 5.116042897829E-04 5.219368375669E-04 | ||
1699 | 62 | 5.323993528024E-04 5.429934702788E-04 5.537208453485E-04 5.645831541857E-04 | ||
1700 | 63 | 5.755820940482E-04 5.867193835428E-04 5.979967628936E-04 6.094159942140E-04 | ||
1701 | 64 | 6.209788617822E-04 6.326871723199E-04 6.445427552742E-04 6.565474631042E-04 | ||
1702 | 65 | 6.687031715699E-04 6.810117800255E-04 6.934752117161E-04 7.060954140782E-04 | ||
1703 | 66 | 7.188743590442E-04 7.318140433502E-04 7.449164888481E-04 7.581837428219E-04 | ||
1704 | 67 | 7.716178783068E-04 7.852209944139E-04 7.989952166577E-04 8.129426972886E-04 | ||
1705 | 68 | 8.270656156287E-04 8.413661784127E-04 8.558466201327E-04 8.705092033872E-04 | ||
1706 | 69 | 8.853562192346E-04 9.003899875514E-04 9.156128573944E-04 9.310272073681E-04 | ||
1707 | 70 | 9.466354459959E-04 9.624400120969E-04 9.784433751668E-04 9.946480357635E-04 | ||
1708 | 71 | 1.011056525898E-03 1.027671409431E-03 1.044495282471E-03 1.061530773783E-03 | ||
1709 | 72 | 1.078780545197E-03 1.096247292025E-03 1.113933743481E-03 1.131842663110E-03 | ||
1710 | 73 | 1.149976849216E-03 1.168339135304E-03 1.186932390517E-03 1.205759520090E-03 | ||
1711 | 74 | 1.224823465800E-03 1.244127206428E-03 1.263673758221E-03 1.283466175369E-03 | ||
1712 | 75 | 1.303507550477E-03 1.323801015050E-03 1.344349739984E-03 1.365156936059E-03 | ||
1713 | 76 | 1.386225854442E-03 1.407559787193E-03 1.429162067784E-03 1.451036071614E-03 | ||
1714 | 77 | 1.473185216542E-03 1.495612963415E-03 1.518322816616E-03 1.541318324605E-03 | ||
1715 | 78 | 1.564603080476E-03 1.588180722521E-03 1.612054934794E-03 1.636229447689E-03 | ||
1716 | 79 | 1.660708038524E-03 1.685494532126E-03 1.710592801437E-03 1.736006768113E-03 | ||
1717 | 80 | 1.761740403137E-03 1.787797727442E-03 1.814182812538E-03 1.840899781148E-03 | ||
1718 | 81 | 1.867952807853E-03 1.895346119744E-03 1.923083997081E-03 1.951170773964E-03 | ||
1719 | 82 | 1.979610839008E-03 2.008408636033E-03 2.037568664752E-03 2.067095481479E-03 | ||
1720 | 83 | 2.096993699840E-03 2.127267991491E-03 2.157923086853E-03 2.188963775847E-03 | ||
1721 | 84 | 2.220394908642E-03 2.252221396419E-03 2.284448212129E-03 2.317080391279E-03 | ||
1722 | 85 | 2.350123032714E-03 2.383581299412E-03 2.417460419297E-03 2.451765686050E-03 | ||
1723 | 86 | 2.486502459937E-03 2.521676168652E-03 2.557292308158E-03 2.593356443548E-03 | ||
1724 | 87 | 2.629874209918E-03 2.666851313242E-03 2.704293531269E-03 2.742206714420E-03 | ||
1725 | 88 | 2.780596786709E-03 2.819469746662E-03 2.858831668257E-03 2.898688701876E-03 | ||
1726 | 89 | 2.939047075261E-03 2.979913094490E-03 3.021293144961E-03 3.063193692392E-03 | ||
1727 | 90 | 3.105621283828E-03 3.148582548667E-03 3.192084199694E-03 3.236133034131E-03 | ||
1728 | 91 | 3.280735934697E-03 3.325899870686E-03 3.371631899055E-03 3.417939165527E-03 | ||
1729 | 92 | 3.464828905707E-03 3.512308446210E-03 3.560385205814E-03 3.609066696608E-03 | ||
1730 | 93 | 3.658360525175E-03 3.708274393776E-03 3.758816101555E-03 3.809993545755E-03 | ||
1731 | 94 | 3.861814722957E-03 3.914287730326E-03 3.967420766875E-03 4.021222134749E-03 | ||
1732 | 95 | 4.075700240522E-03 4.130863596509E-03 4.186720822095E-03 4.243280645087E-03 | ||
1733 | 96 | 4.300551903072E-03 4.358543544799E-03 4.417264631582E-03 4.476724338710E-03 | ||
1734 | 97 | 4.536931956882E-03 4.597896893662E-03 4.659628674944E-03 4.722136946446E-03 | ||
1735 | 98 | 4.785431475212E-03 4.849522151141E-03 4.914418988532E-03 4.980132127646E-03 | ||
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1897 | 260 | 1.678591261659E+01 1.699705730237E+01 1.721085786134E+01 1.742734770027E+01 | ||
1898 | 261 | 1.764656064616E+01 1.786853095147E+01 1.809329329950E+01 1.832088280984E+01 | ||
1899 | 262 | 1.855133504380E+01 1.878468601002E+01 1.902097217006E+01 1.926023044412E+01 | ||
1900 | 263 | 1.950249821678E+01 1.974781334288E+01 1.999621415340E+01 2.024773946148E+01 | ||
1901 | 264 | 2.050242856847E+01 2.076032127004E+01 2.102145786246E+01 2.128587914885E+01 | ||
1902 | 265 | 2.155362644558E+01 2.182474158871E+01 2.209926694053E+01 2.237724539618E+01 | ||
1903 | 266 | 2.265872039037E+01 2.294373590413E+01 2.323233647172E+01 2.352456718757E+01 | ||
1904 | 267 | 2.382047371331E+01 2.412010228494E+01 2.442349972005E+01 2.473071342509E+01 | ||
1905 | 268 | 2.504179140283E+01 2.535678225984E+01 2.567573521408E+01 2.599870010259E+01 | ||
1906 | 269 | 2.632572738931E+01 2.665686817291E+01 2.699217419480E+01 2.733169784725E+01 | ||
1907 | 270 | 2.767549218150E+01 2.802361091613E+01 2.837610844539E+01 2.873303984774E+01 | ||
1908 | 271 | 2.909446089444E+01 2.946042805826E+01 2.983099852231E+01 3.020623018899E+01 | ||
1909 | 272 | 3.058618168901E+01 3.097091239055E+01 3.136048240858E+01 3.175495261421E+01 | ||
1910 | 273 | 3.215438464420E+01 3.255884091062E+01 3.296838461060E+01 3.338307973615E+01 | ||
1911 | 274 | 3.380299108425E+01 3.422818426689E+01 3.465872572137E+01 3.509468272067E+01 | ||
1912 | 275 | 3.553612338397E+01 3.598311668725E+01 3.643573247414E+01 3.689404146677E+01 | ||
1913 | 276 | 3.735811527686E+01 3.782802641688E+01 3.830384831140E+01 3.878565530856E+01 | ||
1914 | 277 | 3.927352269169E+01 3.976752669106E+01 4.026774449579E+01 4.077425426594E+01 | ||
1915 | 278 | 4.128713514468E+01 4.180646727071E+01 4.233233179072E+01 4.286481087211E+01 | ||
1916 | 279 | 4.340398771582E+01 4.394994656933E+01 4.450277273983E+01 4.506255260752E+01 | ||
1917 | 280 | 4.562937363914E+01 4.620332440165E+01 4.678449457601E+01 4.737297497125E+01 | ||
1918 | 281 | 4.796885753862E+01 4.857223538598E+01 4.918320279236E+01 4.980185522266E+01 | ||
1919 | 282 | 5.042828934257E+01 5.106260303370E+01 5.170489540886E+01 5.235526682753E+01 | ||
1920 | 283 | 5.301381891157E+01 5.368065456109E+01 5.435587797052E+01 5.503959464488E+01 | ||
1921 | 284 | 5.573191141629E+01 5.643293646067E+01 5.714277931459E+01 5.786155089246E+01 | ||
1922 | 285 | 5.858936350378E+01 5.932633087077E+01 6.007256814607E+01 6.082819193077E+01 | ||
1923 | 286 | 6.159332029264E+01 6.236807278452E+01 6.315257046308E+01 6.394693590768E+01 | ||
1924 | 287 | 6.475129323952E+01 6.556576814109E+01 6.639048787573E+01 6.722558130759E+01 | ||
1925 | 288 | 6.807117892172E+01 6.892741284446E+01 6.979441686410E+01 7.067232645179E+01 | ||
1926 | 289 | 7.156127878269E+01 7.246141275740E+01 7.337286902369E+01 7.429578999846E+01 | ||
1927 | 290 | 7.523031988999E+01 7.617660472047E+01 7.713479234883E+01 7.810503249385E+01 | ||
1928 | 291 | 7.908747675751E+01 8.008227864873E+01 8.108959360734E+01 8.210957902834E+01 | ||
1929 | 292 | 8.314239428652E+01 8.418820076139E+01 8.524716186231E+01 8.631944305413E+01 | ||
1930 | 293 | 8.740521188296E+01 8.850463800239E+01 8.961789319998E+01 9.074515142413E+01 | ||
1931 | 294 | 9.188658881122E+01 9.304238371318E+01 9.421271672530E+01 9.539777071450E+01 | ||
1932 | 295 | 9.659773084787E+01 9.781278462163E+01 9.904312189041E+01 1.002889348969E+02 | ||
1933 | 296 | 1.015504183019E+02 1.028277692148E+02 1.041211872243E+02 1.054308744295E+02 | ||
1934 | 297 | 1.067570354717E+02 1.080998775664E+02 1.094596105353E+02 1.108364468394E+02 | ||
1935 | 298 | 1.122306016123E+02 1.136422926934E+02 1.150717406624E+02 1.165191688733E+02 | ||
1936 | 299 | 1.179848034899E+02 1.194688735205E+02 | ||
1937 | 300 | </grid-data> | ||
1938 | 301 | </grid> | ||
1939 | 302 | <semilocal-potentials set="non_relativistic"> | ||
1940 | 303 | <slps n="2" l="s" rc="1.14200693028" flavor="Troullier-Martins"> | ||
1941 | 304 | <radfunc> | ||
1942 | 305 | <data> | ||
1943 | 306 | -6.129244206844E+00 -6.129244206438E+00 -6.129244206026E+00 -6.129244205327E+00 | ||
1944 | 307 | -6.129244204331E+00 -6.129244203026E+00 -6.129244201400E+00 -6.129244199442E+00 | ||
1945 | 308 | -6.129244197141E+00 -6.129244194483E+00 -6.129244191455E+00 -6.129244188045E+00 | ||
1946 | 309 | -6.129244184240E+00 -6.129244180024E+00 -6.129244175384E+00 -6.129244170306E+00 | ||
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1949 | 312 | -6.129244102199E+00 -6.129244091823E+00 -6.129244080815E+00 -6.129244069155E+00 | ||
1950 | 313 | -6.129244056821E+00 -6.129244043792E+00 -6.129244030046E+00 -6.129244015559E+00 | ||
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1964 | 327 | -6.129241263989E+00 -6.129241149013E+00 -6.129241030345E+00 -6.129240907882E+00 | ||
1965 | 328 | -6.129240781519E+00 -6.129240651147E+00 -6.129240516653E+00 -6.129240377923E+00 | ||
1966 | 329 | -6.129240234841E+00 -6.129240087283E+00 -6.129239935128E+00 -6.129239778247E+00 | ||
1967 | 330 | -6.129239616511E+00 -6.129239449784E+00 -6.129239277929E+00 -6.129239100806E+00 | ||
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1969 | 332 | -6.129238130947E+00 -6.129237919029E+00 -6.129237700745E+00 -6.129237475920E+00 | ||
1970 | 333 | -6.129237244376E+00 -6.129237005929E+00 -6.129236760393E+00 -6.129236507574E+00 | ||
1971 | 334 | -6.129236247274E+00 -6.129235979292E+00 -6.129235703417E+00 -6.129235419438E+00 | ||
1972 | 335 | -6.129235127134E+00 -6.129234826280E+00 -6.129234516645E+00 -6.129234197994E+00 | ||
1973 | 336 | -6.129233870082E+00 -6.129233532660E+00 -6.129233185472E+00 -6.129232828256E+00 | ||
1974 | 337 | -6.129232460742E+00 -6.129232082654E+00 -6.129231693708E+00 -6.129231293614E+00 | ||
1975 | 338 | -6.129230882071E+00 -6.129230458775E+00 -6.129230023411E+00 -6.129229575656E+00 | ||
1976 | 339 | -6.129229115179E+00 -6.129228641642E+00 -6.129228154696E+00 -6.129227653983E+00 | ||
1977 | 340 | -6.129227139137E+00 -6.129226609782E+00 -6.129226065532E+00 -6.129225505992E+00 | ||
1978 | 341 | -6.129224930754E+00 -6.129224339404E+00 -6.129223731513E+00 -6.129223106643E+00 | ||
1979 | 342 | -6.129222464344E+00 -6.129221804155E+00 -6.129221125603E+00 -6.129220428202E+00 | ||
1980 | 343 | -6.129219711453E+00 -6.129218974847E+00 -6.129218217858E+00 -6.129217439950E+00 | ||
1981 | 344 | -6.129216640570E+00 -6.129215819153E+00 -6.129214975118E+00 -6.129214107871E+00 | ||
1982 | 345 | -6.129213216799E+00 -6.129212301278E+00 -6.129211360664E+00 -6.129210394298E+00 | ||
1983 | 346 | -6.129209401504E+00 -6.129208381589E+00 -6.129207333840E+00 -6.129206257529E+00 | ||
1984 | 347 | -6.129205151907E+00 -6.129204016207E+00 -6.129202849639E+00 -6.129201651398E+00 | ||
1985 | 348 | -6.129200420654E+00 -6.129199156558E+00 -6.129197858238E+00 -6.129196524800E+00 | ||
1986 | 349 | -6.129195155328E+00 -6.129193748879E+00 -6.129192304491E+00 -6.129190821173E+00 | ||
1987 | 350 | -6.129189297910E+00 -6.129187733663E+00 -6.129186127362E+00 -6.129184477914E+00 | ||
1988 | 351 | -6.129182784195E+00 -6.129181045053E+00 -6.129179259308E+00 -6.129177425747E+00 | ||
1989 | 352 | -6.129175543128E+00 -6.129173610177E+00 -6.129171625586E+00 -6.129169588015E+00 | ||
1990 | 353 | -6.129167496089E+00 -6.129165348397E+00 -6.129163143495E+00 -6.129160879898E+00 | ||
1991 | 354 | -6.129158556086E+00 -6.129156170498E+00 -6.129153721535E+00 -6.129151207557E+00 | ||
1992 | 355 | -6.129148626879E+00 -6.129145977778E+00 -6.129143258482E+00 -6.129140467177E+00 | ||
1993 | 356 | -6.129137602002E+00 -6.129134661047E+00 -6.129131642356E+00 -6.129128543920E+00 | ||
1994 | 357 | -6.129125363682E+00 -6.129122099529E+00 -6.129118749296E+00 -6.129115310764E+00 | ||
1995 | 358 | -6.129111781655E+00 -6.129108159633E+00 -6.129104442306E+00 -6.129100627216E+00 | ||
1996 | 359 | -6.129096711846E+00 -6.129092693614E+00 -6.129088569871E+00 -6.129084337902E+00 | ||
1997 | 360 | -6.129079994922E+00 -6.129075538076E+00 -6.129070964435E+00 -6.129066270997E+00 | ||
1998 | 361 | -6.129061454683E+00 -6.129056512336E+00 -6.129051440716E+00 -6.129046236506E+00 | ||
1999 | 362 | -6.129040896299E+00 -6.129035416606E+00 -6.129029793846E+00 -6.129024024349E+00 | ||
2000 | 363 | -6.129018104350E+00 -6.129012029992E+00 -6.129005797315E+00 -6.128999402263E+00 | ||
2001 | 364 | -6.128992840674E+00 -6.128986108282E+00 -6.128979200713E+00 -6.128972113480E+00 | ||
2002 | 365 | -6.128964841984E+00 -6.128957381510E+00 -6.128949727221E+00 -6.128941874160E+00 | ||
2003 | 366 | -6.128933817243E+00 -6.128925551259E+00 -6.128917070861E+00 -6.128908370571E+00 | ||
2004 | 367 | -6.128899444770E+00 -6.128890287699E+00 -6.128880893449E+00 -6.128871255967E+00 | ||
2005 | 368 | -6.128861369042E+00 -6.128851226310E+00 -6.128840821243E+00 -6.128830147150E+00 | ||
2006 | 369 | -6.128819197172E+00 -6.128807964273E+00 -6.128796441242E+00 -6.128784620687E+00 | ||
2007 | 370 | -6.128772495028E+00 -6.128760056492E+00 -6.128747297115E+00 -6.128734208726E+00 | ||
2008 | 371 | -6.128720782954E+00 -6.128707011213E+00 -6.128692884702E+00 -6.128678394400E+00 | ||
2009 | 372 | -6.128663531056E+00 -6.128648285189E+00 -6.128632647078E+00 -6.128616606758E+00 | ||
2010 | 373 | -6.128600154014E+00 -6.128583278373E+00 -6.128565969100E+00 -6.128548215191E+00 | ||
2011 | 374 | -6.128530005365E+00 -6.128511328058E+00 -6.128492171417E+00 -6.128472523290E+00 | ||
2012 | 375 | -6.128452371222E+00 -6.128431702447E+00 -6.128410503877E+00 -6.128388762098E+00 | ||
2013 | 376 | -6.128366463361E+00 -6.128343593572E+00 -6.128320138285E+00 -6.128296082695E+00 | ||
2014 | 377 | -6.128271411624E+00 -6.128246109519E+00 -6.128220160437E+00 -6.128193548038E+00 | ||
2015 | 378 | -6.128166255576E+00 -6.128138265886E+00 -6.128109561379E+00 -6.128080124024E+00 | ||
2016 | 379 | -6.128049935348E+00 -6.128018976413E+00 -6.127987227816E+00 -6.127954669669E+00 | ||
2017 | 380 | -6.127921281593E+00 -6.127887042704E+00 -6.127851931601E+00 -6.127815926351E+00 | ||
2018 | 381 | -6.127779004484E+00 -6.127741142969E+00 -6.127702318212E+00 -6.127662506033E+00 | ||
2019 | 382 | -6.127621681659E+00 -6.127579819704E+00 -6.127536894159E+00 -6.127492878377E+00 | ||
2020 | 383 | -6.127447745054E+00 -6.127401466217E+00 -6.127354013207E+00 -6.127305356664E+00 | ||
2021 | 384 | -6.127255466508E+00 -6.127204311925E+00 -6.127151861347E+00 -6.127098082438E+00 | ||
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2028 | 391 | -6.125209228817E+00 -6.125106566573E+00 -6.125001336663E+00 -6.124893476408E+00 | ||
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2030 | 393 | -6.124312422139E+00 -6.124187379544E+00 -6.124059225191E+00 -6.123927883830E+00 | ||
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2034 | 397 | -6.121892910346E+00 -6.121708023578E+00 -6.121518595042E+00 -6.121324517690E+00 | ||
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2037 | 400 | -6.119349789888E+00 -6.119102810309E+00 -6.118849843697E+00 -6.118590752790E+00 | ||
2038 | 401 | -6.118325397562E+00 -6.118053635188E+00 -6.117775320008E+00 -6.117490303490E+00 | ||
2039 | 402 | -6.117198434201E+00 -6.116899557770E+00 -6.116593516856E+00 -6.116280151119E+00 | ||
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2095 | 458 | -7.424347848606E+00 -7.463331140859E+00 -7.501139102198E+00 -7.537554206282E+00 | ||
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2169 | 532 | -2.395994720778E-01 -2.366230832649E-01 -2.336836686457E-01 -2.307807688970E-01 | ||
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2178 | 541 | -1.527746835216E-01 -1.508768711369E-01 -1.490026341214E-01 -1.471516796081E-01 | ||
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2183 | 546 | -1.189808355235E-01 -1.175028228788E-01 -1.160431706235E-01 -1.146016506757E-01 | ||
2184 | 547 | -1.131780377869E-01 -1.117721095068E-01 -1.103836461487E-01 -1.090124307549E-01 | ||
2185 | 548 | -1.076582490628E-01 -1.063208894717E-01 -1.050001430096E-01 -1.036958033004E-01 | ||
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2188 | 551 | -9.266224193864E-02 -9.151116764299E-02 -9.037439235619E-02 -8.925173844978E-02 | ||
2189 | 552 | -8.814303050194E-02 -8.704809527001E-02 -8.596676166351E-02 -8.489886071733E-02 | ||
2190 | 553 | -8.384422556534E-02 -8.280269141437E-02 -8.177409551837E-02 -8.075827715304E-02 | ||
2191 | 554 | -7.975507759071E-02 -7.876434007550E-02 -7.778590979886E-02 -7.681963387535E-02 | ||
2192 | 555 | -7.586536131879E-02 -7.492294301862E-02 -7.399223171661E-02 -7.307308198389E-02 | ||
2193 | 556 | -7.216535019815E-02 -7.126889452128E-02 -7.038357487714E-02 -6.950925292969E-02 | ||
2194 | 557 | -6.864579206139E-02 -6.779305735184E-02 -6.695091555668E-02 -6.611923508681E-02 | ||
2195 | 558 | -6.529788598777E-02 -6.448673991948E-02 -6.368567013617E-02 -6.289455146658E-02 | ||
2196 | 559 | -6.211326029438E-02 -6.134167453886E-02 -6.057967363588E-02 -5.982713851900E-02 | ||
2197 | 560 | -5.908395160088E-02 -5.834999675492E-02 -5.762515929708E-02 -5.690932596801E-02 | ||
2198 | 561 | -5.620238491531E-02 -5.550422567606E-02 -5.481473915957E-02 -5.413381763034E-02 | ||
2199 | 562 | -5.346135469119E-02 -5.279724526667E-02 -5.214138558662E-02 -5.149367316997E-02 | ||
2200 | 563 | -5.085400680870E-02 -5.022228655207E-02 | ||
2201 | 564 | </data> | ||
2202 | 565 | </radfunc> | ||
2203 | 566 | </slps> | ||
2204 | 567 | <slps n="2" l="p" rc="1.14200693028" flavor="Troullier-Martins"> | ||
2205 | 568 | <radfunc> | ||
2206 | 569 | <data> | ||
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2212 | 575 | -1.848146374340E+01 -1.848146373535E+01 -1.848146372675E+01 -1.848146371758E+01 | ||
2213 | 576 | -1.848146370781E+01 -1.848146369744E+01 -1.848146368643E+01 -1.848146367477E+01 | ||
2214 | 577 | -1.848146366243E+01 -1.848146364940E+01 -1.848146363566E+01 -1.848146362117E+01 | ||
2215 | 578 | -1.848146360592E+01 -1.848146358988E+01 -1.848146357303E+01 -1.848146355534E+01 | ||
2216 | 579 | -1.848146353678E+01 -1.848146351733E+01 -1.848146349695E+01 -1.848146347563E+01 | ||
2217 | 580 | -1.848146345333E+01 -1.848146343002E+01 -1.848146340567E+01 -1.848146338024E+01 | ||
2218 | 581 | -1.848146335371E+01 -1.848146332605E+01 -1.848146329720E+01 -1.848146326715E+01 | ||
2219 | 582 | -1.848146323585E+01 -1.848146320327E+01 -1.848146316937E+01 -1.848146313410E+01 | ||
2220 | 583 | -1.848146309743E+01 -1.848146305931E+01 -1.848146301971E+01 -1.848146297857E+01 | ||
2221 | 584 | -1.848146293586E+01 -1.848146289152E+01 -1.848146284550E+01 -1.848146279777E+01 | ||
2222 | 585 | -1.848146274826E+01 -1.848146269693E+01 -1.848146264372E+01 -1.848146258858E+01 | ||
2223 | 586 | -1.848146253145E+01 -1.848146247227E+01 -1.848146241099E+01 -1.848146234754E+01 | ||
2224 | 587 | -1.848146228186E+01 -1.848146221388E+01 -1.848146214355E+01 -1.848146207079E+01 | ||
2225 | 588 | -1.848146199553E+01 -1.848146191770E+01 -1.848146183723E+01 -1.848146175404E+01 | ||
2226 | 589 | -1.848146166806E+01 -1.848146157920E+01 -1.848146148739E+01 -1.848146139253E+01 | ||
2227 | 590 | -1.848146129455E+01 -1.848146119336E+01 -1.848146108887E+01 -1.848146098097E+01 | ||
2228 | 591 | -1.848146086958E+01 -1.848146075461E+01 -1.848146063594E+01 -1.848146051347E+01 | ||
2229 | 592 | -1.848146038711E+01 -1.848146025673E+01 -1.848146012224E+01 -1.848145998351E+01 | ||
2230 | 593 | -1.848145984042E+01 -1.848145969286E+01 -1.848145954070E+01 -1.848145938382E+01 | ||
2231 | 594 | -1.848145922208E+01 -1.848145905535E+01 -1.848145888349E+01 -1.848145870637E+01 | ||
2232 | 595 | -1.848145852382E+01 -1.848145833572E+01 -1.848145814190E+01 -1.848145794221E+01 | ||
2233 | 596 | -1.848145773649E+01 -1.848145752456E+01 -1.848145730627E+01 -1.848145708144E+01 | ||
2234 | 597 | -1.848145684989E+01 -1.848145661144E+01 -1.848145636590E+01 -1.848145611307E+01 | ||
2235 | 598 | -1.848145585276E+01 -1.848145558477E+01 -1.848145530889E+01 -1.848145502490E+01 | ||
2236 | 599 | -1.848145473258E+01 -1.848145443172E+01 -1.848145412207E+01 -1.848145380341E+01 | ||
2237 | 600 | -1.848145347549E+01 -1.848145313805E+01 -1.848145279085E+01 -1.848145243362E+01 | ||
2238 | 601 | -1.848145206609E+01 -1.848145168798E+01 -1.848145129902E+01 -1.848145089890E+01 | ||
2239 | 602 | -1.848145048734E+01 -1.848145006402E+01 -1.848144962863E+01 -1.848144918086E+01 | ||
2240 | 603 | -1.848144872035E+01 -1.848144824679E+01 -1.848144775981E+01 -1.848144725907E+01 | ||
2241 | 604 | -1.848144674419E+01 -1.848144621480E+01 -1.848144567051E+01 -1.848144511093E+01 | ||
2242 | 605 | -1.848144453565E+01 -1.848144394426E+01 -1.848144333632E+01 -1.848144271140E+01 | ||
2243 | 606 | -1.848144206905E+01 -1.848144140881E+01 -1.848144073020E+01 -1.848144003273E+01 | ||
2244 | 607 | -1.848143931592E+01 -1.848143857924E+01 -1.848143782218E+01 -1.848143704419E+01 | ||
2245 | 608 | -1.848143624473E+01 -1.848143542323E+01 -1.848143457910E+01 -1.848143371175E+01 | ||
2246 | 609 | -1.848143282058E+01 -1.848143190495E+01 -1.848143096422E+01 -1.848142999773E+01 | ||
2247 | 610 | -1.848142900481E+01 -1.848142798476E+01 -1.848142693686E+01 -1.848142586040E+01 | ||
2248 | 611 | -1.848142475462E+01 -1.848142361875E+01 -1.848142245200E+01 -1.848142125357E+01 | ||
2249 | 612 | -1.848142002262E+01 -1.848141875831E+01 -1.848141745977E+01 -1.848141612609E+01 | ||
2250 | 613 | -1.848141475637E+01 -1.848141334966E+01 -1.848141190499E+01 -1.848141042137E+01 | ||
2251 | 614 | -1.848140889780E+01 -1.848140733322E+01 -1.848140572657E+01 -1.848140407676E+01 | ||
2252 | 615 | -1.848140238265E+01 -1.848140064310E+01 -1.848139885692E+01 -1.848139702290E+01 | ||
2253 | 616 | -1.848139513980E+01 -1.848139320634E+01 -1.848139122121E+01 -1.848138918307E+01 | ||
2254 | 617 | -1.848138709055E+01 -1.848138494222E+01 -1.848138273665E+01 -1.848138047235E+01 | ||
2255 | 618 | -1.848137814780E+01 -1.848137576143E+01 -1.848137331164E+01 -1.848137079679E+01 | ||
2256 | 619 | -1.848136821519E+01 -1.848136556511E+01 -1.848136284479E+01 -1.848136005241E+01 | ||
2257 | 620 | -1.848135718609E+01 -1.848135424394E+01 -1.848135122398E+01 -1.848134812421E+01 | ||
2258 | 621 | -1.848134494256E+01 -1.848134167692E+01 -1.848133832512E+01 -1.848133488493E+01 | ||
2259 | 622 | -1.848133135408E+01 -1.848132773022E+01 -1.848132401095E+01 -1.848132019382E+01 | ||
2260 | 623 | -1.848131627629E+01 -1.848131225579E+01 -1.848130812965E+01 -1.848130389515E+01 | ||
2261 | 624 | -1.848129954951E+01 -1.848129508986E+01 -1.848129051326E+01 -1.848128581671E+01 | ||
2262 | 625 | -1.848128099711E+01 -1.848127605130E+01 -1.848127097603E+01 -1.848126576798E+01 | ||
2263 | 626 | -1.848126042372E+01 -1.848125493976E+01 -1.848124931250E+01 -1.848124353826E+01 | ||
2264 | 627 | -1.848123761326E+01 -1.848123153364E+01 -1.848122529542E+01 -1.848121889452E+01 | ||
2265 | 628 | -1.848121232677E+01 -1.848120558789E+01 -1.848119867349E+01 -1.848119157906E+01 | ||
2266 | 629 | -1.848118429998E+01 -1.848117683151E+01 -1.848116916881E+01 -1.848116130688E+01 | ||
2267 | 630 | -1.848115324063E+01 -1.848114496480E+01 -1.848113647405E+01 -1.848112776284E+01 | ||
2268 | 631 | -1.848111882555E+01 -1.848110965637E+01 -1.848110024937E+01 -1.848109059846E+01 | ||
2269 | 632 | -1.848108069740E+01 -1.848107053977E+01 -1.848106011902E+01 -1.848104942842E+01 | ||
2270 | 633 | -1.848103846105E+01 -1.848102720983E+01 -1.848101566752E+01 -1.848100382666E+01 | ||
2271 | 634 | -1.848099167962E+01 -1.848097921857E+01 -1.848096643549E+01 -1.848095332214E+01 | ||
2272 | 635 | -1.848093987009E+01 -1.848092607069E+01 -1.848091191505E+01 -1.848089739408E+01 | ||
2273 | 636 | -1.848088249846E+01 -1.848086721860E+01 -1.848085154471E+01 -1.848083546672E+01 | ||
2274 | 637 | -1.848081897433E+01 -1.848080205694E+01 -1.848078470373E+01 -1.848076690357E+01 | ||
2275 | 638 | -1.848074864505E+01 -1.848072991649E+01 -1.848071070591E+01 -1.848069100100E+01 | ||
2276 | 639 | -1.848067078916E+01 -1.848065005747E+01 -1.848062879269E+01 -1.848060698122E+01 | ||
2277 | 640 | -1.848058460913E+01 -1.848056166214E+01 -1.848053812560E+01 -1.848051398450E+01 | ||
2278 | 641 | -1.848048922343E+01 -1.848046382661E+01 -1.848043777785E+01 -1.848041106055E+01 | ||
2279 | 642 | -1.848038365769E+01 -1.848035555182E+01 -1.848032672505E+01 -1.848029715904E+01 | ||
2280 | 643 | -1.848026683497E+01 -1.848023573357E+01 -1.848020383505E+01 -1.848017111914E+01 | ||
2281 | 644 | -1.848013756505E+01 -1.848010315148E+01 -1.848006785657E+01 -1.848003165792E+01 | ||
2282 | 645 | -1.847999453254E+01 -1.847995645690E+01 -1.847991740683E+01 -1.847987735759E+01 | ||
2283 | 646 | -1.847983628379E+01 -1.847979415939E+01 -1.847975095773E+01 -1.847970665142E+01 | ||
2284 | 647 | -1.847966121244E+01 -1.847961461202E+01 -1.847956682067E+01 -1.847951780816E+01 | ||
2285 | 648 | -1.847946754350E+01 -1.847941599492E+01 -1.847936312983E+01 -1.847930891484E+01 | ||
2286 | 649 | -1.847925331570E+01 -1.847919629730E+01 -1.847913782366E+01 -1.847907785786E+01 | ||
2287 | 650 | -1.847901636208E+01 -1.847895329753E+01 -1.847888862445E+01 -1.847882230207E+01 | ||
2288 | 651 | -1.847875428859E+01 -1.847868454116E+01 -1.847861301586E+01 -1.847853966765E+01 | ||
2289 | 652 | -1.847846445036E+01 -1.847838731667E+01 -1.847830821803E+01 -1.847822710471E+01 | ||
2290 | 653 | -1.847814392571E+01 -1.847805862874E+01 -1.847797116020E+01 -1.847788146515E+01 | ||
2291 | 654 | -1.847778948725E+01 -1.847769516876E+01 -1.847759845047E+01 -1.847749927170E+01 | ||
2292 | 655 | -1.847739757022E+01 -1.847729328225E+01 -1.847718634242E+01 -1.847707668370E+01 | ||
2293 | 656 | -1.847696423736E+01 -1.847684893297E+01 -1.847673069833E+01 -1.847660945941E+01 | ||
2294 | 657 | -1.847648514032E+01 -1.847635766328E+01 -1.847622694854E+01 -1.847609291436E+01 | ||
2295 | 658 | -1.847595547695E+01 -1.847581455040E+01 -1.847567004665E+01 -1.847552187543E+01 | ||
2296 | 659 | -1.847536994423E+01 -1.847521415816E+01 -1.847505442002E+01 -1.847489063010E+01 | ||
2297 | 660 | -1.847472268625E+01 -1.847455048372E+01 -1.847437391514E+01 -1.847419287045E+01 | ||
2298 | 661 | -1.847400723682E+01 -1.847381689861E+01 -1.847362173725E+01 -1.847342163122E+01 | ||
2299 | 662 | -1.847321645594E+01 -1.847300608370E+01 -1.847279038358E+01 -1.847256922141E+01 | ||
2300 | 663 | -1.847234245959E+01 -1.847210995713E+01 -1.847187156946E+01 -1.847162714839E+01 | ||
2301 | 664 | -1.847137654200E+01 -1.847111959457E+01 -1.847085614645E+01 -1.847058603398E+01 | ||
2302 | 665 | -1.847030908939E+01 -1.847002514068E+01 -1.846973401153E+01 -1.846943552116E+01 | ||
2303 | 666 | -1.846912948426E+01 -1.846881571083E+01 -1.846849400609E+01 -1.846816417033E+01 | ||
2304 | 667 | -1.846782599881E+01 -1.846747928161E+01 -1.846712380349E+01 -1.846675934376E+01 | ||
2305 | 668 | -1.846638567616E+01 -1.846600256866E+01 -1.846560978336E+01 -1.846520707630E+01 | ||
2306 | 669 | -1.846479419732E+01 -1.846437088987E+01 -1.846393689087E+01 -1.846349193050E+01 | ||
2307 | 670 | -1.846303573205E+01 -1.846256801170E+01 -1.846208847836E+01 -1.846159683344E+01 | ||
2308 | 671 | -1.846109277066E+01 -1.846057597582E+01 -1.846004612660E+01 -1.845950289232E+01 | ||
2309 | 672 | -1.845894593370E+01 -1.845837490263E+01 -1.845778944189E+01 -1.845718918492E+01 | ||
2310 | 673 | -1.845657375550E+01 -1.845594276755E+01 -1.845529582474E+01 -1.845463252026E+01 | ||
2311 | 674 | -1.845395243647E+01 -1.845325514460E+01 -1.845254020437E+01 -1.845180716369E+01 | ||
2312 | 675 | -1.845105555824E+01 -1.845028491112E+01 -1.844949473248E+01 -1.844868451905E+01 | ||
2313 | 676 | -1.844785375375E+01 -1.844700190523E+01 -1.844612842741E+01 -1.844523275900E+01 | ||
2314 | 677 | -1.844431432298E+01 -1.844337252610E+01 -1.844240675830E+01 -1.844141639214E+01 | ||
2315 | 678 | -1.844040078223E+01 -1.843935926459E+01 -1.843829115596E+01 -1.843719575317E+01 | ||
2316 | 679 | -1.843607233241E+01 -1.843492014847E+01 -1.843373843396E+01 -1.843252639852E+01 | ||
2317 | 680 | -1.843128322793E+01 -1.843000808322E+01 -1.842870009976E+01 -1.842735838625E+01 | ||
2318 | 681 | -1.842598202372E+01 -1.842457006439E+01 -1.842312153063E+01 -1.842163541371E+01 | ||
2319 | 682 | -1.842011067256E+01 -1.841854623252E+01 -1.841694098391E+01 -1.841529378065E+01 | ||
2320 | 683 | -1.841360343873E+01 -1.841186873464E+01 -1.841008840373E+01 -1.840826113846E+01 | ||
2321 | 684 | -1.840638558659E+01 -1.840446034926E+01 -1.840248397901E+01 -1.840045497765E+01 | ||
2322 | 685 | -1.839837179410E+01 -1.839623282201E+01 -1.839403639740E+01 -1.839178079608E+01 | ||
2323 | 686 | -1.838946423097E+01 -1.838708484933E+01 -1.838464072978E+01 -1.838212987928E+01 | ||
2324 | 687 | -1.837955022980E+01 -1.837689963505E+01 -1.837417586681E+01 -1.837137661129E+01 | ||
2325 | 688 | -1.836849946517E+01 -1.836554193154E+01 -1.836250141560E+01 -1.835937522016E+01 | ||
2326 | 689 | -1.835616054094E+01 -1.835285446166E+01 -1.834945394884E+01 -1.834595584643E+01 | ||
2327 | 690 | -1.834235687017E+01 -1.833865360162E+01 -1.833484248204E+01 -1.833091980590E+01 | ||
2328 | 691 | -1.832688171410E+01 -1.832272418692E+01 -1.831844303664E+01 -1.831403389982E+01 | ||
2329 | 692 | -1.830949222927E+01 -1.830481328562E+01 -1.829999212856E+01 -1.829502360771E+01 | ||
2330 | 693 | -1.828990235306E+01 -1.828462276505E+01 -1.827917900421E+01 -1.827356498036E+01 | ||
2331 | 694 | -1.826777434142E+01 -1.826180046168E+01 -1.825563642969E+01 -1.824927503561E+01 | ||
2332 | 695 | -1.824270875809E+01 -1.823592975064E+01 -1.822892982747E+01 -1.822170044881E+01 | ||
2333 | 696 | -1.821423270572E+01 -1.820651730427E+01 -1.819854454923E+01 -1.819030432715E+01 | ||
2334 | 697 | -1.818178608890E+01 -1.817297883153E+01 -1.816387107969E+01 -1.815445086627E+01 | ||
2335 | 698 | -1.814470571258E+01 -1.813462260788E+01 -1.812418798828E+01 -1.811338771506E+01 | ||
2336 | 699 | -1.810220705240E+01 -1.809063064452E+01 -1.807864249222E+01 -1.806622592886E+01 | ||
2337 | 700 | -1.805336359584E+01 -1.804003741743E+01 -1.802622857526E+01 -1.801191748217E+01 | ||
2338 | 701 | -1.799708375572E+01 -1.798170619128E+01 -1.796576273474E+01 -1.794923045490E+01 | ||
2339 | 702 | -1.793208551567E+01 -1.791430314799E+01 -1.789585762175E+01 -1.787672221759E+01 | ||
2340 | 703 | -1.785686919880E+01 -1.783626978336E+01 -1.781489411627E+01 -1.779271124225E+01 | ||
2341 | 704 | -1.776968907901E+01 -1.774579439110E+01 -1.772099276466E+01 -1.769524858321E+01 | ||
2342 | 705 | -1.766852500447E+01 -1.764078393879E+01 -1.761198602899E+01 -1.758209063220E+01 | ||
2343 | 706 | -1.755105580373E+01 -1.751883828334E+01 -1.748539348420E+01 -1.745067548483E+01 | ||
2344 | 707 | -1.741463702439E+01 -1.737722950160E+01 -1.733840297783E+01 -1.729810618459E+01 | ||
2345 | 708 | -1.725628653595E+01 -1.721289014632E+01 -1.716786185409E+01 -1.712114525158E+01 | ||
2346 | 709 | -1.707268272188E+01 -1.702241548308E+01 -1.697028364058E+01 -1.691622624788E+01 | ||
2347 | 710 | -1.686018137665E+01 -1.680208619669E+01 -1.674187706632E+01 -1.667948963402E+01 | ||
2348 | 711 | -1.661485895193E+01 -1.654791960196E+01 -1.647860583516E+01 -1.640685172509E+01 | ||
2349 | 712 | -1.633259133591E+01 -1.625575890591E+01 -1.617628904711E+01 -1.609411696160E+01 | ||
2350 | 713 | -1.600917867536E+01 -1.592141129000E+01 -1.583075325315E+01 -1.573714464785E+01 | ||
2351 | 714 | -1.564052750140E+01 -1.554084611416E+01 -1.543804740828E+01 -1.533208129677E+01 | ||
2352 | 715 | -1.522290107276E+01 -1.511046381890E+01 -1.499473083661E+01 -1.487566809468E+01 | ||
2353 | 716 | -1.475324669660E+01 -1.462744336584E+01 -1.449824094779E+01 -1.436562892718E+01 | ||
2354 | 717 | -1.422960395934E+01 -1.409017041326E+01 -1.394734092439E+01 -1.380113695455E+01 | ||
2355 | 718 | -1.365158935603E+01 -1.349873893670E+01 -1.334263702248E+01 -1.318334601307E+01 | ||
2356 | 719 | -1.302093992673E+01 -1.285550492908E+01 -1.268713984095E+01 -1.251595661953E+01 | ||
2357 | 720 | -1.234208080688E+01 -1.216565193952E+01 -1.198682391230E+01 -1.180576528949E+01 | ||
2358 | 721 | -1.162265955584E+01 -1.143770529973E+01 -1.125111632075E+01 -1.106312165332E+01 | ||
2359 | 722 | -1.087396549822E+01 -1.068390705340E+01 -1.049322023556E+01 -1.030219328369E+01 | ||
2360 | 723 | -1.011112823596E+01 -9.920340270910E+00 -9.730156904255E+00 -9.540917032221E+00 | ||
2361 | 724 | -9.352969812402E+00 -9.166673372967E+00 -8.982393340831E+00 -8.800501179158E+00 | ||
2362 | 725 | -8.621372324218E+00 -8.445384111193E+00 -8.272913478018E+00 -8.104334435787E+00 | ||
2363 | 726 | -7.940015293690E+00 -7.780315625958E+00 -7.625582967949E+00 -7.476149228589E+00 | ||
2364 | 727 | -7.332326806910E+00 -7.194404401915E+00 -7.062642507657E+00 -6.937268589781E+00 | ||
2365 | 728 | -6.818471946465E+00 -6.706398266314E+00 -6.601143909277E+00 -6.502749954905E+00 | ||
2366 | 729 | -6.411196086498E+00 -6.326394411039E+00 -6.248183354688E+00 -6.176321823488E+00 | ||
2367 | 730 | -6.110483880259E+00 -6.050254263033E+00 -5.995125159235E+00 -5.944494754638E+00 | ||
2368 | 731 | -5.897668198065E+00 -5.853861763234E+00 -5.812211148855E+00 -5.771785038302E+00 | ||
2369 | 732 | -5.731605242069E+00 -5.690674971592E+00 -5.648017044802E+00 -5.602724106744E+00 | ||
2370 | 733 | -5.554023270238E+00 -5.501357953220E+00 -5.444490126864E+00 -5.383626712450E+00 | ||
2371 | 734 | -5.319604156398E+00 -5.253926068747E+00 -5.188639705746E+00 -5.124165520725E+00 | ||
2372 | 735 | -5.060493256366E+00 -4.997612822444E+00 -4.935514277061E+00 -4.874187820609E+00 | ||
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2374 | 737 | -4.578803243819E+00 -4.521910917908E+00 -4.465725702657E+00 -4.410238793803E+00 | ||
2375 | 738 | -4.355441499305E+00 -4.301325237395E+00 -4.247881534763E+00 -4.195102024854E+00 | ||
2376 | 739 | -4.142978446255E+00 -4.091502641161E+00 -4.040666553906E+00 -3.990462229550E+00 | ||
2377 | 740 | -3.940881812515E+00 -3.891917545258E+00 -3.843561766984E+00 -3.795806912386E+00 | ||
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2380 | 743 | -3.391852232479E+00 -3.349710678676E+00 -3.308092795701E+00 -3.266992073951E+00 | ||
2381 | 744 | -3.226402084801E+00 -3.186316479592E+00 -3.146728988636E+00 -3.107633420235E+00 | ||
2382 | 745 | -3.069023659701E+00 -3.030893668404E+00 -2.993237482823E+00 -2.956049213608E+00 | ||
2383 | 746 | -2.919323044659E+00 -2.883053232212E+00 -2.847234103939E+00 -2.811860058058E+00 | ||
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2402 | 765 | -1.128917610961E+00 -1.114893163777E+00 -1.101042951010E+00 -1.087364807792E+00 | ||
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2412 | 775 | -6.847074371758E-01 -6.762015677775E-01 -6.678013673193E-01 -6.595055229795E-01 | ||
2413 | 776 | -6.513127382490E-01 -6.432217327284E-01 -6.352312419282E-01 -6.273400170705E-01 | ||
2414 | 777 | -6.195468248944E-01 -6.118504474623E-01 -6.042496819702E-01 -5.967433405592E-01 | ||
2415 | 778 | -5.893302501301E-01 -5.820092521595E-01 -5.747792025189E-01 -5.676389712959E-01 | ||
2416 | 779 | -5.605874426175E-01 -5.536235144752E-01 -5.467460985533E-01 -5.399541200584E-01 | ||
2417 | 780 | -5.332465175514E-01 -5.266222427813E-01 -5.200802605219E-01 -5.136195484093E-01 | ||
2418 | 781 | -5.072390967825E-01 -5.009379085252E-01 -4.947149989101E-01 -4.885693954450E-01 | ||
2419 | 782 | -4.825001377205E-01 -4.765062772601E-01 -4.705868773717E-01 -4.647410130014E-01 | ||
2420 | 783 | -4.589677705885E-01 -4.532662479231E-01 -4.476355540048E-01 -4.420748089033E-01 | ||
2421 | 784 | -4.365831436213E-01 -4.311596999579E-01 -4.258036303751E-01 -4.205140978651E-01 | ||
2422 | 785 | -4.152902758193E-01 -4.101313478992E-01 -4.050365079086E-01 -4.000049596679E-01 | ||
2423 | 786 | -3.950359168895E-01 -3.901286030546E-01 -3.852822512922E-01 -3.804961042589E-01 | ||
2424 | 787 | -3.757694140210E-01 -3.711014419367E-01 -3.664914585417E-01 -3.619387434343E-01 | ||
2425 | 788 | -3.574425851632E-01 -3.530022811163E-01 -3.486171374106E-01 -3.442864687841E-01 | ||
2426 | 789 | -3.400095984882E-01 -3.357858581826E-01 -3.316145878299E-01 -3.274951355935E-01 | ||
2427 | 790 | -3.234268577347E-01 -3.194091185128E-01 -3.154412900853E-01 -3.115227524099E-01 | ||
2428 | 791 | -3.076528931477E-01 -3.038311075674E-01 -3.000567984505E-01 -2.963293759984E-01 | ||
2429 | 792 | -2.926482577400E-01 -2.890128684405E-01 -2.854226400118E-01 -2.818770114235E-01 | ||
2430 | 793 | -2.783754286151E-01 -2.749173444098E-01 -2.715022184286E-01 -2.681295170058E-01 | ||
2431 | 794 | -2.647987131060E-01 -2.615092862414E-01 -2.582607223902E-01 -2.550525139171E-01 | ||
2432 | 795 | -2.518841594929E-01 -2.487551640171E-01 -2.456650385397E-01 -2.426133001854E-01 | ||
2433 | 796 | -2.395994720778E-01 -2.366230832649E-01 -2.336836686457E-01 -2.307807688970E-01 | ||
2434 | 797 | -2.279139304024E-01 -2.250827051806E-01 -2.222866508158E-01 -2.195253303887E-01 | ||
2435 | 798 | -2.167983124076E-01 -2.141051707418E-01 -2.114454845543E-01 -2.088188382362E-01 | ||
2436 | 799 | -2.062248213421E-01 -2.036630285254E-01 -2.011330594755E-01 -1.986345188546E-01 | ||
2437 | 800 | -1.961670162365E-01 -1.937301660454E-01 -1.913235874955E-01 -1.889469045315E-01 | ||
2438 | 801 | -1.865997457700E-01 -1.842817444414E-01 -1.819925383324E-01 -1.797317697295E-01 | ||
2439 | 802 | -1.774990853634E-01 -1.752941363531E-01 -1.731165781522E-01 -1.709660704944E-01 | ||
2440 | 803 | -1.688422773404E-01 -1.667448668260E-01 -1.646735112093E-01 -1.626278868202E-01 | ||
2441 | 804 | -1.606076740096E-01 -1.586125570993E-01 -1.566422243327E-01 -1.546963678264E-01 | ||
2442 | 805 | -1.527746835216E-01 -1.508768711369E-01 -1.490026341214E-01 -1.471516796081E-01 | ||
2443 | 806 | -1.453237183683E-01 -1.435184647664E-01 -1.417356367153E-01 -1.399749556321E-01 | ||
2444 | 807 | -1.382361463948E-01 -1.365189372992E-01 -1.348230600165E-01 -1.331482495512E-01 | ||
2445 | 808 | -1.314942442000E-01 -1.298607855106E-01 -1.282476182414E-01 -1.266544903216E-01 | ||
2446 | 809 | -1.250811528119E-01 -1.235273598656E-01 -1.219928686899E-01 -1.204774395085E-01 | ||
2447 | 810 | -1.189808355235E-01 -1.175028228788E-01 -1.160431706235E-01 -1.146016506757E-01 | ||
2448 | 811 | -1.131780377869E-01 -1.117721095068E-01 -1.103836461487E-01 -1.090124307549E-01 | ||
2449 | 812 | -1.076582490628E-01 -1.063208894717E-01 -1.050001430096E-01 -1.036958033004E-01 | ||
2450 | 813 | -1.024076665317E-01 -1.011355314231E-01 -9.987919919473E-02 -9.863847353590E-02 | ||
2451 | 814 | -9.741316057477E-02 -9.620306884790E-02 -9.500800927030E-02 -9.382779510597E-02 | ||
2452 | 815 | -9.266224193864E-02 -9.151116764299E-02 -9.037439235619E-02 -8.925173844978E-02 | ||
2453 | 816 | -8.814303050194E-02 -8.704809527001E-02 -8.596676166351E-02 -8.489886071733E-02 | ||
2454 | 817 | -8.384422556534E-02 -8.280269141437E-02 -8.177409551837E-02 -8.075827715304E-02 | ||
2455 | 818 | -7.975507759071E-02 -7.876434007550E-02 -7.778590979886E-02 -7.681963387535E-02 | ||
2456 | 819 | -7.586536131879E-02 -7.492294301862E-02 -7.399223171661E-02 -7.307308198389E-02 | ||
2457 | 820 | -7.216535019815E-02 -7.126889452128E-02 -7.038357487714E-02 -6.950925292969E-02 | ||
2458 | 821 | -6.864579206139E-02 -6.779305735184E-02 -6.695091555668E-02 -6.611923508681E-02 | ||
2459 | 822 | -6.529788598777E-02 -6.448673991948E-02 -6.368567013617E-02 -6.289455146658E-02 | ||
2460 | 823 | -6.211326029438E-02 -6.134167453886E-02 -6.057967363588E-02 -5.982713851900E-02 | ||
2461 | 824 | -5.908395160088E-02 -5.834999675492E-02 -5.762515929708E-02 -5.690932596801E-02 | ||
2462 | 825 | -5.620238491531E-02 -5.550422567606E-02 -5.481473915957E-02 -5.413381763034E-02 | ||
2463 | 826 | -5.346135469119E-02 -5.279724526667E-02 -5.214138558662E-02 -5.149367316997E-02 | ||
2464 | 827 | -5.085400680870E-02 -5.022228655207E-02 | ||
2465 | 828 | </data> | ||
2466 | 829 | </radfunc> | ||
2467 | 830 | </slps> | ||
2468 | 831 | <slps n="3" l="d" rc="1.14200693028" flavor="Troullier-Martins"> | ||
2469 | 832 | <radfunc> | ||
2470 | 833 | <data> | ||
2471 | 834 | -1.408699113208E+01 -1.408699113168E+01 -1.408699113127E+01 -1.408699113057E+01 | ||
2472 | 835 | -1.408699112957E+01 -1.408699112826E+01 -1.408699112664E+01 -1.408699112468E+01 | ||
2473 | 836 | -1.408699112238E+01 -1.408699111972E+01 -1.408699111669E+01 -1.408699111328E+01 | ||
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2501 | 864 | -1.408698079521E+01 -1.408698045778E+01 -1.408698011058E+01 -1.408697975336E+01 | ||
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2510 | 873 | -1.408696014105E+01 -1.408695922547E+01 -1.408695828480E+01 -1.408695731837E+01 | ||
2511 | 874 | -1.408695632550E+01 -1.408695530551E+01 -1.408695425769E+01 -1.408695318130E+01 | ||
2512 | 875 | -1.408695207559E+01 -1.408695093979E+01 -1.408694977313E+01 -1.408694857479E+01 | ||
2513 | 876 | -1.408694734393E+01 -1.408694607972E+01 -1.408694478128E+01 -1.408694344772E+01 | ||
2514 | 877 | -1.408694207811E+01 -1.408694067152E+01 -1.408693922698E+01 -1.408693774350E+01 | ||
2515 | 878 | -1.408693622007E+01 -1.408693465565E+01 -1.408693304916E+01 -1.408693139951E+01 | ||
2516 | 879 | -1.408692970559E+01 -1.408692796622E+01 -1.408692618025E+01 -1.408692434644E+01 | ||
2517 | 880 | -1.408692246356E+01 -1.408692053034E+01 -1.408691854546E+01 -1.408691650758E+01 | ||
2518 | 881 | -1.408691441533E+01 -1.408691226730E+01 -1.408691006204E+01 -1.408690779807E+01 | ||
2519 | 882 | -1.408690547385E+01 -1.408690308785E+01 -1.408690063844E+01 -1.408689812399E+01 | ||
2520 | 883 | -1.408689554282E+01 -1.408689289320E+01 -1.408689017335E+01 -1.408688738146E+01 | ||
2521 | 884 | -1.408688451568E+01 -1.408688157408E+01 -1.408687855470E+01 -1.408687545555E+01 | ||
2522 | 885 | -1.408687227455E+01 -1.408686900960E+01 -1.408686565852E+01 -1.408686221910E+01 | ||
2523 | 886 | -1.408685868906E+01 -1.408685506605E+01 -1.408685134768E+01 -1.408684753149E+01 | ||
2524 | 887 | -1.408684361496E+01 -1.408683959551E+01 -1.408683547048E+01 -1.408683123715E+01 | ||
2525 | 888 | -1.408682689274E+01 -1.408682243439E+01 -1.408681785916E+01 -1.408681316405E+01 | ||
2526 | 889 | -1.408680834597E+01 -1.408680340176E+01 -1.408679832818E+01 -1.408679312190E+01 | ||
2527 | 890 | -1.408678777952E+01 -1.408678229753E+01 -1.408677667235E+01 -1.408677090031E+01 | ||
2528 | 891 | -1.408676497762E+01 -1.408675890043E+01 -1.408675266478E+01 -1.408674626658E+01 | ||
2529 | 892 | -1.408673970169E+01 -1.408673296581E+01 -1.408672605457E+01 -1.408671896346E+01 | ||
2530 | 893 | -1.408671168789E+01 -1.408670422312E+01 -1.408669656431E+01 -1.408668870649E+01 | ||
2531 | 894 | -1.408668064455E+01 -1.408667237328E+01 -1.408666388731E+01 -1.408665518116E+01 | ||
2532 | 895 | -1.408664624918E+01 -1.408663708561E+01 -1.408662768450E+01 -1.408661803981E+01 | ||
2533 | 896 | -1.408660814528E+01 -1.408659799455E+01 -1.408658758105E+01 -1.408657689808E+01 | ||
2534 | 897 | -1.408656593876E+01 -1.408655469602E+01 -1.408654316263E+01 -1.408653133116E+01 | ||
2535 | 898 | -1.408651919401E+01 -1.408650674337E+01 -1.408649397126E+01 -1.408648086946E+01 | ||
2536 | 899 | -1.408646742956E+01 -1.408645364296E+01 -1.408643950079E+01 -1.408642499401E+01 | ||
2537 | 900 | -1.408641011332E+01 -1.408639484918E+01 -1.408637919185E+01 -1.408636313128E+01 | ||
2538 | 901 | -1.408634665723E+01 -1.408632975916E+01 -1.408631242627E+01 -1.408629464750E+01 | ||
2539 | 902 | -1.408627641151E+01 -1.408625770666E+01 -1.408623852103E+01 -1.408621884238E+01 | ||
2540 | 903 | -1.408619865820E+01 -1.408617795561E+01 -1.408615672146E+01 -1.408613494223E+01 | ||
2541 | 904 | -1.408611260407E+01 -1.408608969279E+01 -1.408606619384E+01 -1.408604209229E+01 | ||
2542 | 905 | -1.408601737286E+01 -1.408599201985E+01 -1.408596601720E+01 -1.408593934842E+01 | ||
2543 | 906 | -1.408591199663E+01 -1.408588394450E+01 -1.408585517429E+01 -1.408582566779E+01 | ||
2544 | 907 | -1.408579540636E+01 -1.408576437085E+01 -1.408573254169E+01 -1.408569989875E+01 | ||
2545 | 908 | -1.408566642146E+01 -1.408563208870E+01 -1.408559687881E+01 -1.408556076962E+01 | ||
2546 | 909 | -1.408552373838E+01 -1.408548576179E+01 -1.408544681595E+01 -1.408540687636E+01 | ||
2547 | 910 | -1.408536591794E+01 -1.408532391494E+01 -1.408528084100E+01 -1.408523666908E+01 | ||
2548 | 911 | -1.408519137149E+01 -1.408514491982E+01 -1.408509728497E+01 -1.408504843712E+01 | ||
2549 | 912 | -1.408499834570E+01 -1.408494697936E+01 -1.408489430601E+01 -1.408484029274E+01 | ||
2550 | 913 | -1.408478490581E+01 -1.408472811066E+01 -1.408466987187E+01 -1.408461015315E+01 | ||
2551 | 914 | -1.408454891729E+01 -1.408448612617E+01 -1.408442174073E+01 -1.408435572093E+01 | ||
2552 | 915 | -1.408428802575E+01 -1.408421861316E+01 -1.408414744008E+01 -1.408407446239E+01 | ||
2553 | 916 | -1.408399963485E+01 -1.408392291112E+01 -1.408384424374E+01 -1.408376358404E+01 | ||
2554 | 917 | -1.408368088220E+01 -1.408359608713E+01 -1.408350914653E+01 -1.408342000678E+01 | ||
2555 | 918 | -1.408332861297E+01 -1.408323490885E+01 -1.408313883676E+01 -1.408304033767E+01 | ||
2556 | 919 | -1.408293935109E+01 -1.408283581506E+01 -1.408272966610E+01 -1.408262083920E+01 | ||
2557 | 920 | -1.408250926775E+01 -1.408239488354E+01 -1.408227761670E+01 -1.408215739566E+01 | ||
2558 | 921 | -1.408203414713E+01 -1.408190779602E+01 -1.408177826546E+01 -1.408164547671E+01 | ||
2559 | 922 | -1.408150934911E+01 -1.408136980010E+01 -1.408122674510E+01 -1.408108009753E+01 | ||
2560 | 923 | -1.408092976869E+01 -1.408077566780E+01 -1.408061770189E+01 -1.408045577577E+01 | ||
2561 | 924 | -1.408028979196E+01 -1.408011965070E+01 -1.407994524983E+01 -1.407976648476E+01 | ||
2562 | 925 | -1.407958324842E+01 -1.407939543124E+01 -1.407920292100E+01 -1.407900560289E+01 | ||
2563 | 926 | -1.407880335936E+01 -1.407859607010E+01 -1.407838361198E+01 -1.407816585899E+01 | ||
2564 | 927 | -1.407794268214E+01 -1.407771394947E+01 -1.407747952592E+01 -1.407723927327E+01 | ||
2565 | 928 | -1.407699305013E+01 -1.407674071180E+01 -1.407648211023E+01 -1.407621709397E+01 | ||
2566 | 929 | -1.407594550807E+01 -1.407566719400E+01 -1.407538198962E+01 -1.407508972904E+01 | ||
2567 | 930 | -1.407479024262E+01 -1.407448335681E+01 -1.407416889412E+01 -1.407384667305E+01 | ||
2568 | 931 | -1.407351650796E+01 -1.407317820901E+01 -1.407283158211E+01 -1.407247642876E+01 | ||
2569 | 932 | -1.407211254602E+01 -1.407173972640E+01 -1.407135775778E+01 -1.407096642330E+01 | ||
2570 | 933 | -1.407056550126E+01 -1.407015476505E+01 -1.406973398306E+01 -1.406930291853E+01 | ||
2571 | 934 | -1.406886132950E+01 -1.406840896868E+01 -1.406794558335E+01 -1.406747091528E+01 | ||
2572 | 935 | -1.406698470057E+01 -1.406648666960E+01 -1.406597654687E+01 -1.406545405090E+01 | ||
2573 | 936 | -1.406491889413E+01 -1.406437078280E+01 -1.406380941680E+01 -1.406323448958E+01 | ||
2574 | 937 | -1.406264568800E+01 -1.406204269224E+01 -1.406142517561E+01 -1.406079280448E+01 | ||
2575 | 938 | -1.406014523810E+01 -1.405948212848E+01 -1.405880312025E+01 -1.405810785049E+01 | ||
2576 | 939 | -1.405739594862E+01 -1.405666703621E+01 -1.405592072684E+01 -1.405515662595E+01 | ||
2577 | 940 | -1.405437433064E+01 -1.405357342955E+01 -1.405275350263E+01 -1.405191412100E+01 | ||
2578 | 941 | -1.405105484675E+01 -1.405017523273E+01 -1.404927482240E+01 -1.404835314956E+01 | ||
2579 | 942 | -1.404740973821E+01 -1.404644410224E+01 -1.404545574531E+01 -1.404444416052E+01 | ||
2580 | 943 | -1.404340883022E+01 -1.404234922573E+01 -1.404126480708E+01 -1.404015502273E+01 | ||
2581 | 944 | -1.403901930928E+01 -1.403785709121E+01 -1.403666778048E+01 -1.403545077627E+01 | ||
2582 | 945 | -1.403420546462E+01 -1.403293121806E+01 -1.403162739525E+01 -1.403029334054E+01 | ||
2583 | 946 | -1.402892838361E+01 -1.402753183902E+01 -1.402610300572E+01 -1.402464116661E+01 | ||
2584 | 947 | -1.402314558800E+01 -1.402161551910E+01 -1.402005019147E+01 -1.401844881840E+01 | ||
2585 | 948 | -1.401681059429E+01 -1.401513469405E+01 -1.401342027233E+01 -1.401166646286E+01 | ||
2586 | 949 | -1.400987237766E+01 -1.400803710622E+01 -1.400615971469E+01 -1.400423924492E+01 | ||
2587 | 950 | -1.400227471358E+01 -1.400026511112E+01 -1.399820940073E+01 -1.399610651725E+01 | ||
2588 | 951 | -1.399395536597E+01 -1.399175482140E+01 -1.398950372601E+01 -1.398720088879E+01 | ||
2589 | 952 | -1.398484508390E+01 -1.398243504904E+01 -1.397996948394E+01 -1.397744704861E+01 | ||
2590 | 953 | -1.397486636161E+01 -1.397222599812E+01 -1.396952448803E+01 -1.396676031383E+01 | ||
2591 | 954 | -1.396393190842E+01 -1.396103765284E+01 -1.395807587385E+01 -1.395504484140E+01 | ||
2592 | 955 | -1.395194276593E+01 -1.394876779563E+01 -1.394551801343E+01 -1.394219143399E+01 | ||
2593 | 956 | -1.393878600039E+01 -1.393529958081E+01 -1.393172996488E+01 -1.392807486004E+01 | ||
2594 | 957 | -1.392433188756E+01 -1.392049857848E+01 -1.391657236932E+01 -1.391255059757E+01 | ||
2595 | 958 | -1.390843049704E+01 -1.390420919292E+01 -1.389988369666E+01 -1.389545090063E+01 | ||
2596 | 959 | -1.389090757250E+01 -1.388625034942E+01 -1.388147573194E+01 -1.387658007764E+01 | ||
2597 | 960 | -1.387155959453E+01 -1.386641033414E+01 -1.386112818437E+01 -1.385570886200E+01 | ||
2598 | 961 | -1.385014790493E+01 -1.384444066412E+01 -1.383858229519E+01 -1.383256774972E+01 | ||
2599 | 962 | -1.382639176620E+01 -1.382004886072E+01 -1.381353331716E+01 -1.380683917725E+01 | ||
2600 | 963 | -1.379996023007E+01 -1.379289000136E+01 -1.378562174234E+01 -1.377814841826E+01 | ||
2601 | 964 | -1.377046269656E+01 -1.376255693463E+01 -1.375442316723E+01 -1.374605309354E+01 | ||
2602 | 965 | -1.373743806389E+01 -1.372856906600E+01 -1.371943671102E+01 -1.371003121912E+01 | ||
2603 | 966 | -1.370034240480E+01 -1.369035966180E+01 -1.368007194775E+01 -1.366946776853E+01 | ||
2604 | 967 | -1.365853516228E+01 -1.364726168324E+01 -1.363563438527E+01 -1.362363980519E+01 | ||
2605 | 968 | -1.361126394597E+01 -1.359849225978E+01 -1.358530963084E+01 -1.357170035838E+01 | ||
2606 | 969 | -1.355764813942E+01 -1.354313605175E+01 -1.352814653688E+01 -1.351266138327E+01 | ||
2607 | 970 | -1.349666170976E+01 -1.348012794933E+01 -1.346303983327E+01 -1.344537637585E+01 | ||
2608 | 971 | -1.342711585967E+01 -1.340823582162E+01 -1.338871303978E+01 -1.336852352123E+01 | ||
2609 | 972 | -1.334764249102E+01 -1.332604438237E+01 -1.330370282831E+01 -1.328059065491E+01 | ||
2610 | 973 | -1.325667987633E+01 -1.323194169175E+01 -1.320634648462E+01 -1.317986382422E+01 | ||
2611 | 974 | -1.315246246990E+01 -1.312411037822E+01 -1.309477471322E+01 -1.306442186018E+01 | ||
2612 | 975 | -1.303301744301E+01 -1.300052634575E+01 -1.296691273841E+01 -1.293214010741E+01 | ||
2613 | 976 | -1.289617129111E+01 -1.285896852073E+01 -1.282049346697E+01 -1.278070729279E+01 | ||
2614 | 977 | -1.273957071268E+01 -1.269704405890E+01 -1.265308735502E+01 -1.260766039720E+01 | ||
2615 | 978 | -1.256072284361E+01 -1.251223431251E+01 -1.246215448919E+01 -1.241044324245E+01 | ||
2616 | 979 | -1.235706075081E+01 -1.230196763894E+01 -1.224512512469E+01 -1.218649517703E+01 | ||
2617 | 980 | -1.212604068528E+01 -1.206372563989E+01 -1.199951532509E+01 -1.193337652345E+01 | ||
2618 | 981 | -1.186527773284E+01 -1.179518939553E+01 -1.172308413967E+01 -1.164893703315E+01 | ||
2619 | 982 | -1.157272584945E+01 -1.149443134555E+01 -1.141403755131E+01 -1.133153207000E+01 | ||
2620 | 983 | -1.124690638930E+01 -1.116015620195E+01 -1.107128173528E+01 -1.098028808835E+01 | ||
2621 | 984 | -1.088718557541E+01 -1.079199007428E+01 -1.069472337763E+01 -1.059541354541E+01 | ||
2622 | 985 | -1.049409525589E+01 -1.039081015285E+01 -1.028560718592E+01 -1.017854294077E+01 | ||
2623 | 986 | -1.006968195562E+01 -9.959097019785E+00 -9.846869450016E+00 -9.733089339461E+00 | ||
2624 | 987 | -9.617855773959E+00 -9.501277009588E+00 -9.383470604983E+00 -9.264563501258E+00 | ||
2625 | 988 | -9.144692041791E+00 -9.024001923426E+00 -8.902648069996E+00 -8.780794418304E+00 | ||
2626 | 989 | -8.658613606028E+00 -8.536286550216E+00 -8.414001904349E+00 -8.291955381242E+00 | ||
2627 | 990 | -8.170348928427E+00 -8.049389742129E+00 -7.929289105586E+00 -7.810261037330E+00 | ||
2628 | 991 | -7.692520735207E+00 -7.576282802524E+00 -7.461759243888E+00 -7.349157220168E+00 | ||
2629 | 992 | -7.238676554898E+00 -7.130506988429E+00 -7.024825181714E+00 -6.921791478967E+00 | ||
2630 | 993 | -6.821546448117E+00 -6.724207230431E+00 -6.629863746453E+00 -6.538574825206E+00 | ||
2631 | 994 | -6.450364348154E+00 -6.365217529569E+00 -6.283077491657E+00 -6.203842337133E+00 | ||
2632 | 995 | -6.127362975138E+00 -6.053442019717E+00 -5.981834155164E+00 -5.912248451041E+00 | ||
2633 | 996 | -5.844353213585E+00 -5.777784081949E+00 -5.712156219959E+00 -5.647081620309E+00 | ||
2634 | 997 | -5.582192732440E+00 -5.517173852940E+00 -5.451801984488E+00 -5.385999183700E+00 | ||
2635 | 998 | -5.319906501433E+00 -5.253925752429E+00 -5.188639705746E+00 -5.124165520725E+00 | ||
2636 | 999 | -5.060493256366E+00 -4.997612822444E+00 -4.935514277061E+00 -4.874187820609E+00 | ||
2637 | 1000 | -4.813623790581E+00 -4.753812657032E+00 -4.694745018597E+00 -4.636411598979E+00 | ||
2638 | 1001 | -4.578803243819E+00 -4.521910917908E+00 -4.465725702657E+00 -4.410238793803E+00 | ||
2639 | 1002 | -4.355441499305E+00 -4.301325237395E+00 -4.247881534763E+00 -4.195102024854E+00 | ||
2640 | 1003 | -4.142978446255E+00 -4.091502641161E+00 -4.040666553906E+00 -3.990462229550E+00 | ||
2641 | 1004 | -3.940881812515E+00 -3.891917545258E+00 -3.843561766984E+00 -3.795806912386E+00 | ||
2642 | 1005 | -3.748645510414E+00 -3.702070183070E+00 -3.656073644226E+00 -3.610648698457E+00 | ||
2643 | 1006 | -3.565788239900E+00 -3.521485251123E+00 -3.477732802020E+00 -3.434524048714E+00 | ||
2644 | 1007 | -3.391852232479E+00 -3.349710678676E+00 -3.308092795701E+00 -3.266992073951E+00 | ||
2645 | 1008 | -3.226402084801E+00 -3.186316479592E+00 -3.146728988636E+00 -3.107633420235E+00 | ||
2646 | 1009 | -3.069023659701E+00 -3.030893668404E+00 -2.993237482823E+00 -2.956049213608E+00 | ||
2647 | 1010 | -2.919323044659E+00 -2.883053232212E+00 -2.847234103939E+00 -2.811860058058E+00 | ||
2648 | 1011 | -2.776925562456E+00 -2.742425153818E+00 -2.708353436775E+00 -2.674705083056E+00 | ||
2649 | 1012 | -2.641474830651E+00 -2.608657482988E+00 -2.576247908119E+00 -2.544241037912E+00 | ||
2650 | 1013 | -2.512631867261E+00 -2.481415453298E+00 -2.450586914622E+00 -2.420141430528E+00 | ||
2651 | 1014 | -2.390074240258E+00 -2.360380642249E+00 -2.331055993403E+00 -2.302095708352E+00 | ||
2652 | 1015 | -2.273495258744E+00 -2.245250172531E+00 -2.217356033273E+00 -2.189808479438E+00 | ||
2653 | 1016 | -2.162603203727E+00 -2.135735952393E+00 -2.109202524577E+00 -2.082998771650E+00 | ||
2654 | 1017 | -2.057120596563E+00 -2.031563953204E+00 -2.006324845766E+00 -1.981399328120E+00 | ||
2655 | 1018 | -1.956783503197E+00 -1.932473522376E+00 -1.908465584885E+00 -1.884755937202E+00 | ||
2656 | 1019 | -1.861340872469E+00 -1.838216729911E+00 -1.815379894263E+00 -1.792826795201E+00 | ||
2657 | 1020 | -1.770553906790E+00 -1.748557746922E+00 -1.726834876780E+00 -1.705381900292E+00 | ||
2658 | 1021 | -1.684195463605E+00 -1.663272254556E+00 -1.642609002157E+00 -1.622202476077E+00 | ||
2659 | 1022 | -1.602049486142E+00 -1.582146881835E+00 -1.562491551797E+00 -1.543080423348E+00 | ||
2660 | 1023 | -1.523910461999E+00 -1.504978670982E+00 -1.486282090778E+00 -1.467817798653E+00 | ||
2661 | 1024 | -1.449582908205E+00 -1.431574568906E+00 -1.413789965660E+00 -1.396226318363E+00 | ||
2662 | 1025 | -1.378880881464E+00 -1.361750943537E+00 -1.344833826858E+00 -1.328126886986E+00 | ||
2663 | 1026 | -1.311627512344E+00 -1.295333123819E+00 -1.279241174350E+00 -1.263349148534E+00 | ||
2664 | 1027 | -1.247654562233E+00 -1.232154962180E+00 -1.216847925601E+00 -1.201731059834E+00 | ||
2665 | 1028 | -1.186802001951E+00 -1.172058418394E+00 -1.157498004606E+00 -1.143118484672E+00 | ||
2666 | 1029 | -1.128917610961E+00 -1.114893163777E+00 -1.101042951010E+00 -1.087364807792E+00 | ||
2667 | 1030 | -1.073856596162E+00 -1.060516204727E+00 -1.047341548334E+00 -1.034330567744E+00 | ||
2668 | 1031 | -1.021481229310E+00 -1.008791524656E+00 -9.962594703667E-01 -9.838831076750E-01 | ||
2669 | 1032 | -9.716605021554E-01 -9.595897434224E-01 -9.476689448310E-01 -9.358962431817E-01 | ||
2670 | 1033 | -9.242697984292E-01 -9.127877933941E-01 -9.014484334793E-01 -8.902499463886E-01 | ||
2671 | 1034 | -8.791905818499E-01 -8.682686113412E-01 -8.574823278204E-01 -8.468300454580E-01 | ||
2672 | 1035 | -8.363100993738E-01 -8.259208453761E-01 -8.156606597048E-01 -8.055279387772E-01 | ||
2673 | 1036 | -7.955210989375E-01 -7.856385762085E-01 -7.758788260479E-01 -7.662403231057E-01 | ||
2674 | 1037 | -7.567215609865E-01 -7.473210520134E-01 -7.380373269955E-01 -7.288689349979E-01 | ||
2675 | 1038 | -7.198144431152E-01 -7.108724362470E-01 -7.020415168769E-01 -6.933203048538E-01 | ||
2676 | 1039 | -6.847074371758E-01 -6.762015677775E-01 -6.678013673193E-01 -6.595055229795E-01 | ||
2677 | 1040 | -6.513127382490E-01 -6.432217327284E-01 -6.352312419282E-01 -6.273400170705E-01 | ||
2678 | 1041 | -6.195468248944E-01 -6.118504474623E-01 -6.042496819702E-01 -5.967433405592E-01 | ||
2679 | 1042 | -5.893302501301E-01 -5.820092521595E-01 -5.747792025189E-01 -5.676389712959E-01 | ||
2680 | 1043 | -5.605874426175E-01 -5.536235144752E-01 -5.467460985533E-01 -5.399541200584E-01 | ||
2681 | 1044 | -5.332465175514E-01 -5.266222427813E-01 -5.200802605219E-01 -5.136195484093E-01 | ||
2682 | 1045 | -5.072390967825E-01 -5.009379085252E-01 -4.947149989101E-01 -4.885693954450E-01 | ||
2683 | 1046 | -4.825001377205E-01 -4.765062772601E-01 -4.705868773717E-01 -4.647410130014E-01 | ||
2684 | 1047 | -4.589677705885E-01 -4.532662479231E-01 -4.476355540048E-01 -4.420748089033E-01 | ||
2685 | 1048 | -4.365831436213E-01 -4.311596999579E-01 -4.258036303751E-01 -4.205140978651E-01 | ||
2686 | 1049 | -4.152902758193E-01 -4.101313478992E-01 -4.050365079086E-01 -4.000049596679E-01 | ||
2687 | 1050 | -3.950359168895E-01 -3.901286030546E-01 -3.852822512922E-01 -3.804961042589E-01 | ||
2688 | 1051 | -3.757694140210E-01 -3.711014419367E-01 -3.664914585417E-01 -3.619387434343E-01 | ||
2689 | 1052 | -3.574425851632E-01 -3.530022811163E-01 -3.486171374106E-01 -3.442864687841E-01 | ||
2690 | 1053 | -3.400095984882E-01 -3.357858581826E-01 -3.316145878299E-01 -3.274951355935E-01 | ||
2691 | 1054 | -3.234268577347E-01 -3.194091185128E-01 -3.154412900853E-01 -3.115227524099E-01 | ||
2692 | 1055 | -3.076528931477E-01 -3.038311075674E-01 -3.000567984505E-01 -2.963293759984E-01 | ||
2693 | 1056 | -2.926482577400E-01 -2.890128684405E-01 -2.854226400118E-01 -2.818770114235E-01 | ||
2694 | 1057 | -2.783754286151E-01 -2.749173444098E-01 -2.715022184286E-01 -2.681295170058E-01 | ||
2695 | 1058 | -2.647987131060E-01 -2.615092862414E-01 -2.582607223902E-01 -2.550525139171E-01 | ||
2696 | 1059 | -2.518841594929E-01 -2.487551640171E-01 -2.456650385397E-01 -2.426133001854E-01 | ||
2697 | 1060 | -2.395994720778E-01 -2.366230832649E-01 -2.336836686457E-01 -2.307807688970E-01 | ||
2698 | 1061 | -2.279139304024E-01 -2.250827051806E-01 -2.222866508158E-01 -2.195253303887E-01 | ||
2699 | 1062 | -2.167983124076E-01 -2.141051707418E-01 -2.114454845543E-01 -2.088188382362E-01 | ||
2700 | 1063 | -2.062248213421E-01 -2.036630285254E-01 -2.011330594755E-01 -1.986345188546E-01 | ||
2701 | 1064 | -1.961670162365E-01 -1.937301660454E-01 -1.913235874955E-01 -1.889469045315E-01 | ||
2702 | 1065 | -1.865997457700E-01 -1.842817444414E-01 -1.819925383324E-01 -1.797317697295E-01 | ||
2703 | 1066 | -1.774990853634E-01 -1.752941363531E-01 -1.731165781522E-01 -1.709660704944E-01 | ||
2704 | 1067 | -1.688422773404E-01 -1.667448668260E-01 -1.646735112093E-01 -1.626278868202E-01 | ||
2705 | 1068 | -1.606076740096E-01 -1.586125570993E-01 -1.566422243327E-01 -1.546963678264E-01 | ||
2706 | 1069 | -1.527746835216E-01 -1.508768711369E-01 -1.490026341214E-01 -1.471516796081E-01 | ||
2707 | 1070 | -1.453237183683E-01 -1.435184647664E-01 -1.417356367153E-01 -1.399749556321E-01 | ||
2708 | 1071 | -1.382361463948E-01 -1.365189372992E-01 -1.348230600165E-01 -1.331482495512E-01 | ||
2709 | 1072 | -1.314942442000E-01 -1.298607855106E-01 -1.282476182414E-01 -1.266544903216E-01 | ||
2710 | 1073 | -1.250811528119E-01 -1.235273598656E-01 -1.219928686899E-01 -1.204774395085E-01 | ||
2711 | 1074 | -1.189808355235E-01 -1.175028228788E-01 -1.160431706235E-01 -1.146016506757E-01 | ||
2712 | 1075 | -1.131780377869E-01 -1.117721095068E-01 -1.103836461487E-01 -1.090124307549E-01 | ||
2713 | 1076 | -1.076582490628E-01 -1.063208894717E-01 -1.050001430096E-01 -1.036958033004E-01 | ||
2714 | 1077 | -1.024076665317E-01 -1.011355314231E-01 -9.987919919473E-02 -9.863847353590E-02 | ||
2715 | 1078 | -9.741316057477E-02 -9.620306884790E-02 -9.500800927030E-02 -9.382779510597E-02 | ||
2716 | 1079 | -9.266224193864E-02 -9.151116764299E-02 -9.037439235619E-02 -8.925173844978E-02 | ||
2717 | 1080 | -8.814303050194E-02 -8.704809527001E-02 -8.596676166351E-02 -8.489886071733E-02 | ||
2718 | 1081 | -8.384422556534E-02 -8.280269141437E-02 -8.177409551837E-02 -8.075827715304E-02 | ||
2719 | 1082 | -7.975507759071E-02 -7.876434007550E-02 -7.778590979886E-02 -7.681963387535E-02 | ||
2720 | 1083 | -7.586536131879E-02 -7.492294301862E-02 -7.399223171661E-02 -7.307308198389E-02 | ||
2721 | 1084 | -7.216535019815E-02 -7.126889452128E-02 -7.038357487714E-02 -6.950925292969E-02 | ||
2722 | 1085 | -6.864579206139E-02 -6.779305735184E-02 -6.695091555668E-02 -6.611923508681E-02 | ||
2723 | 1086 | -6.529788598777E-02 -6.448673991948E-02 -6.368567013617E-02 -6.289455146658E-02 | ||
2724 | 1087 | -6.211326029438E-02 -6.134167453886E-02 -6.057967363588E-02 -5.982713851900E-02 | ||
2725 | 1088 | -5.908395160088E-02 -5.834999675492E-02 -5.762515929708E-02 -5.690932596801E-02 | ||
2726 | 1089 | -5.620238491531E-02 -5.550422567606E-02 -5.481473915957E-02 -5.413381763034E-02 | ||
2727 | 1090 | -5.346135469119E-02 -5.279724526667E-02 -5.214138558662E-02 -5.149367316997E-02 | ||
2728 | 1091 | -5.085400680870E-02 -5.022228655207E-02 | ||
2729 | 1092 | </data> | ||
2730 | 1093 | </radfunc> | ||
2731 | 1094 | </slps> | ||
2732 | 1095 | <slps n="4" l="f" rc="1.14200693028" flavor="Troullier-Martins"> | ||
2733 | 1096 | <radfunc> | ||
2734 | 1097 | <data> | ||
2735 | 1098 | -1.280235055386E+01 -1.280235055346E+01 -1.280235055305E+01 -1.280235055235E+01 | ||
2736 | 1099 | -1.280235055135E+01 -1.280235055005E+01 -1.280235054842E+01 -1.280235054646E+01 | ||
2737 | 1100 | -1.280235054416E+01 -1.280235054150E+01 -1.280235053847E+01 -1.280235053506E+01 | ||
2738 | 1101 | -1.280235053126E+01 -1.280235052704E+01 -1.280235052240E+01 -1.280235051733E+01 | ||
2739 | 1102 | -1.280235051179E+01 -1.280235050579E+01 -1.280235049930E+01 -1.280235049231E+01 | ||
2740 | 1103 | -1.280235048480E+01 -1.280235047676E+01 -1.280235046816E+01 -1.280235045898E+01 | ||
2741 | 1104 | -1.280235044922E+01 -1.280235043884E+01 -1.280235042783E+01 -1.280235041617E+01 | ||
2742 | 1105 | -1.280235040384E+01 -1.280235039081E+01 -1.280235037707E+01 -1.280235036258E+01 | ||
2743 | 1106 | -1.280235034733E+01 -1.280235033129E+01 -1.280235031443E+01 -1.280235029674E+01 | ||
2744 | 1107 | -1.280235027818E+01 -1.280235025873E+01 -1.280235023836E+01 -1.280235021704E+01 | ||
2745 | 1108 | -1.280235019474E+01 -1.280235017143E+01 -1.280235014708E+01 -1.280235012165E+01 | ||
2746 | 1109 | -1.280235009512E+01 -1.280235006745E+01 -1.280235003861E+01 -1.280235000856E+01 | ||
2747 | 1110 | -1.280234997726E+01 -1.280234994468E+01 -1.280234991077E+01 -1.280234987551E+01 | ||
2748 | 1111 | -1.280234983884E+01 -1.280234980072E+01 -1.280234976112E+01 -1.280234971998E+01 | ||
2749 | 1112 | -1.280234967726E+01 -1.280234963292E+01 -1.280234958691E+01 -1.280234953918E+01 | ||
2750 | 1113 | -1.280234948967E+01 -1.280234943834E+01 -1.280234938513E+01 -1.280234932999E+01 | ||
2751 | 1114 | -1.280234927286E+01 -1.280234921368E+01 -1.280234915240E+01 -1.280234908895E+01 | ||
2752 | 1115 | -1.280234902327E+01 -1.280234895530E+01 -1.280234888496E+01 -1.280234881220E+01 | ||
2753 | 1116 | -1.280234873694E+01 -1.280234865911E+01 -1.280234857864E+01 -1.280234849545E+01 | ||
2754 | 1117 | -1.280234840947E+01 -1.280234832061E+01 -1.280234822880E+01 -1.280234813395E+01 | ||
2755 | 1118 | -1.280234803597E+01 -1.280234793478E+01 -1.280234783028E+01 -1.280234772239E+01 | ||
2756 | 1119 | -1.280234761100E+01 -1.280234749602E+01 -1.280234737736E+01 -1.280234725489E+01 | ||
2757 | 1120 | -1.280234712853E+01 -1.280234699816E+01 -1.280234686366E+01 -1.280234672493E+01 | ||
2758 | 1121 | -1.280234658185E+01 -1.280234643429E+01 -1.280234628213E+01 -1.280234612525E+01 | ||
2759 | 1122 | -1.280234596351E+01 -1.280234579678E+01 -1.280234562493E+01 -1.280234544780E+01 | ||
2760 | 1123 | -1.280234526526E+01 -1.280234507716E+01 -1.280234488335E+01 -1.280234468366E+01 | ||
2761 | 1124 | -1.280234447794E+01 -1.280234426602E+01 -1.280234404773E+01 -1.280234382290E+01 | ||
2762 | 1125 | -1.280234359135E+01 -1.280234335291E+01 -1.280234310737E+01 -1.280234285454E+01 | ||
2763 | 1126 | -1.280234259424E+01 -1.280234232626E+01 -1.280234205038E+01 -1.280234176639E+01 | ||
2764 | 1127 | -1.280234147408E+01 -1.280234117323E+01 -1.280234086359E+01 -1.280234054493E+01 | ||
2765 | 1128 | -1.280234021701E+01 -1.280233987959E+01 -1.280233953239E+01 -1.280233917517E+01 | ||
2766 | 1129 | -1.280233880765E+01 -1.280233842955E+01 -1.280233804060E+01 -1.280233764050E+01 | ||
2767 | 1130 | -1.280233722894E+01 -1.280233680564E+01 -1.280233637026E+01 -1.280233592250E+01 | ||
2768 | 1131 | -1.280233546201E+01 -1.280233498846E+01 -1.280233450150E+01 -1.280233400078E+01 | ||
2769 | 1132 | -1.280233348592E+01 -1.280233295655E+01 -1.280233241228E+01 -1.280233185272E+01 | ||
2770 | 1133 | -1.280233127747E+01 -1.280233068610E+01 -1.280233007819E+01 -1.280232945329E+01 | ||
2771 | 1134 | -1.280232881097E+01 -1.280232815076E+01 -1.280232747218E+01 -1.280232677475E+01 | ||
2772 | 1135 | -1.280232605798E+01 -1.280232532134E+01 -1.280232456432E+01 -1.280232378638E+01 | ||
2773 | 1136 | -1.280232298696E+01 -1.280232216551E+01 -1.280232132143E+01 -1.280232045414E+01 | ||
2774 | 1137 | -1.280231956302E+01 -1.280231864745E+01 -1.280231770679E+01 -1.280231674037E+01 | ||
2775 | 1138 | -1.280231574752E+01 -1.280231472755E+01 -1.280231367973E+01 -1.280231260336E+01 | ||
2776 | 1139 | -1.280231149766E+01 -1.280231036189E+01 -1.280230919524E+01 -1.280230799692E+01 | ||
2777 | 1140 | -1.280230676609E+01 -1.280230550190E+01 -1.280230420348E+01 -1.280230286994E+01 | ||
2778 | 1141 | -1.280230150036E+01 -1.280230009379E+01 -1.280229864928E+01 -1.280229716583E+01 | ||
2779 | 1142 | -1.280229564243E+01 -1.280229407804E+01 -1.280229247159E+01 -1.280229082198E+01 | ||
2780 | 1143 | -1.280228912809E+01 -1.280228738877E+01 -1.280228560283E+01 -1.280228376907E+01 | ||
2781 | 1144 | -1.280228188624E+01 -1.280227995307E+01 -1.280227796824E+01 -1.280227593042E+01 | ||
2782 | 1145 | -1.280227383823E+01 -1.280227169027E+01 -1.280226948507E+01 -1.280226722117E+01 | ||
2783 | 1146 | -1.280226489703E+01 -1.280226251110E+01 -1.280226006177E+01 -1.280225754741E+01 | ||
2784 | 1147 | -1.280225496633E+01 -1.280225231681E+01 -1.280224959706E+01 -1.280224680528E+01 | ||
2785 | 1148 | -1.280224393961E+01 -1.280224099813E+01 -1.280223797888E+01 -1.280223487986E+01 | ||
2786 | 1149 | -1.280223169900E+01 -1.280222843420E+01 -1.280222508328E+01 -1.280222164402E+01 | ||
2787 | 1150 | -1.280221811415E+01 -1.280221449132E+01 -1.280221077314E+01 -1.280220695716E+01 | ||
2788 | 1151 | -1.280220304084E+01 -1.280219902161E+01 -1.280219489682E+01 -1.280219066375E+01 | ||
2789 | 1152 | -1.280218631960E+01 -1.280218186152E+01 -1.280217728659E+01 -1.280217259178E+01 | ||
2790 | 1153 | -1.280216777403E+01 -1.280216283016E+01 -1.280215775694E+01 -1.280215255105E+01 | ||
2791 | 1154 | -1.280214720906E+01 -1.280214172750E+01 -1.280213610277E+01 -1.280213033119E+01 | ||
2792 | 1155 | -1.280212440900E+01 -1.280211833233E+01 -1.280211209722E+01 -1.280210569961E+01 | ||
2793 | 1156 | -1.280209913532E+01 -1.280209240008E+01 -1.280208548952E+01 -1.280207839913E+01 | ||
2794 | 1157 | -1.280207112431E+01 -1.280206366033E+01 -1.280205600235E+01 -1.280204814540E+01 | ||
2795 | 1158 | -1.280204008439E+01 -1.280203181409E+01 -1.280202332914E+01 -1.280201462407E+01 | ||
2796 | 1159 | -1.280200569323E+01 -1.280199653084E+01 -1.280198713100E+01 -1.280197748763E+01 | ||
2797 | 1160 | -1.280196759450E+01 -1.280195744524E+01 -1.280194703329E+01 -1.280193635196E+01 | ||
2798 | 1161 | -1.280192539435E+01 -1.280191415342E+01 -1.280190262193E+01 -1.280189079247E+01 | ||
2799 | 1162 | -1.280187865743E+01 -1.280186620902E+01 -1.280185343924E+01 -1.280184033990E+01 | ||
2800 | 1163 | -1.280182690261E+01 -1.280181311873E+01 -1.280179897944E+01 -1.280178447568E+01 | ||
2801 | 1164 | -1.280176959818E+01 -1.280175433740E+01 -1.280173868359E+01 -1.280172262675E+01 | ||
2802 | 1165 | -1.280170615661E+01 -1.280168926265E+01 -1.280167193410E+01 -1.280165415990E+01 | ||
2803 | 1166 | -1.280163592872E+01 -1.280161722892E+01 -1.280159804861E+01 -1.280157837557E+01 | ||
2804 | 1167 | -1.280155819728E+01 -1.280153750091E+01 -1.280151627329E+01 -1.280149450093E+01 | ||
2805 | 1168 | -1.280147217001E+01 -1.280144926635E+01 -1.280142577541E+01 -1.280140168230E+01 | ||
2806 | 1169 | -1.280137697175E+01 -1.280135162808E+01 -1.280132563527E+01 -1.280129897684E+01 | ||
2807 | 1170 | -1.280127163594E+01 -1.280124359527E+01 -1.280121483712E+01 -1.280118534332E+01 | ||
2808 | 1171 | -1.280115509523E+01 -1.280112407378E+01 -1.280109225940E+01 -1.280105963203E+01 | ||
2809 | 1172 | -1.280102617112E+01 -1.280099185558E+01 -1.280095666382E+01 -1.280092057371E+01 | ||
2810 | 1173 | -1.280088356254E+01 -1.280084560707E+01 -1.280080668345E+01 -1.280076676724E+01 | ||
2811 | 1174 | -1.280072583342E+01 -1.280068385630E+01 -1.280064080959E+01 -1.280059666633E+01 | ||
2812 | 1175 | -1.280055139888E+01 -1.280050497892E+01 -1.280045737744E+01 -1.280040856470E+01 | ||
2813 | 1176 | -1.280035851020E+01 -1.280030718272E+01 -1.280025455025E+01 -1.280020057997E+01 | ||
2814 | 1177 | -1.280014523828E+01 -1.280008849073E+01 -1.280003030201E+01 -1.279997063596E+01 | ||
2815 | 1178 | -1.279990945551E+01 -1.279984672268E+01 -1.279978239855E+01 -1.279971644326E+01 | ||
2816 | 1179 | -1.279964881593E+01 -1.279957947472E+01 -1.279950837673E+01 -1.279943547801E+01 | ||
2817 | 1180 | -1.279936073355E+01 -1.279928409722E+01 -1.279920552176E+01 -1.279912495877E+01 | ||
2818 | 1181 | -1.279904235863E+01 -1.279895767056E+01 -1.279887084249E+01 -1.279878182111E+01 | ||
2819 | 1182 | -1.279869055181E+01 -1.279859697864E+01 -1.279850104430E+01 -1.279840269010E+01 | ||
2820 | 1183 | -1.279830185590E+01 -1.279819848015E+01 -1.279809249977E+01 -1.279798385018E+01 | ||
2821 | 1184 | -1.279787246522E+01 -1.279775827715E+01 -1.279764121661E+01 -1.279752121254E+01 | ||
2822 | 1185 | -1.279739819220E+01 -1.279727208110E+01 -1.279714280295E+01 -1.279701027966E+01 | ||
2823 | 1186 | -1.279687443126E+01 -1.279673517588E+01 -1.279659242970E+01 -1.279644610689E+01 | ||
2824 | 1187 | -1.279629611961E+01 -1.279614237793E+01 -1.279598478978E+01 -1.279582326093E+01 | ||
2825 | 1188 | -1.279565769493E+01 -1.279548799304E+01 -1.279531405423E+01 -1.279513577507E+01 | ||
2826 | 1189 | -1.279495304974E+01 -1.279476576993E+01 -1.279457382481E+01 -1.279437710097E+01 | ||
2827 | 1190 | -1.279417548237E+01 -1.279396885028E+01 -1.279375708323E+01 -1.279354005694E+01 | ||
2828 | 1191 | -1.279331764428E+01 -1.279308971519E+01 -1.279285613664E+01 -1.279261677256E+01 | ||
2829 | 1192 | -1.279237148377E+01 -1.279212012794E+01 -1.279186255950E+01 -1.279159862959E+01 | ||
2830 | 1193 | -1.279132818599E+01 -1.279105107307E+01 -1.279076713168E+01 -1.279047619913E+01 | ||
2831 | 1194 | -1.279017810909E+01 -1.278987269155E+01 -1.278955977271E+01 -1.278923917492E+01 | ||
2832 | 1195 | -1.278891071663E+01 -1.278857421230E+01 -1.278822947232E+01 -1.278787630294E+01 | ||
2833 | 1196 | -1.278751450619E+01 -1.278714387983E+01 -1.278676421720E+01 -1.278637530725E+01 | ||
2834 | 1197 | -1.278597693434E+01 -1.278556887826E+01 -1.278515091409E+01 -1.278472281214E+01 | ||
2835 | 1198 | -1.278428433785E+01 -1.278383525173E+01 -1.278337530925E+01 -1.278290426078E+01 | ||
2836 | 1199 | -1.278242185147E+01 -1.278192782120E+01 -1.278142190445E+01 -1.278090383026E+01 | ||
2837 | 1200 | -1.278037332211E+01 -1.277983009780E+01 -1.277927386944E+01 -1.277870434327E+01 | ||
2838 | 1201 | -1.277812121961E+01 -1.277752419278E+01 -1.277691295096E+01 -1.277628717612E+01 | ||
2839 | 1202 | -1.277564654394E+01 -1.277499072366E+01 -1.277431937803E+01 -1.277363216317E+01 | ||
2840 | 1203 | -1.277292872849E+01 -1.277220871660E+01 -1.277147176317E+01 -1.277071749681E+01 | ||
2841 | 1204 | -1.276994553904E+01 -1.276915550408E+01 -1.276834699882E+01 -1.276751962262E+01 | ||
2842 | 1205 | -1.276667296730E+01 -1.276580661690E+01 -1.276492014767E+01 -1.276401312784E+01 | ||
2843 | 1206 | -1.276308511758E+01 -1.276213566880E+01 -1.276116432507E+01 -1.276017062142E+01 | ||
2844 | 1207 | -1.275915408423E+01 -1.275811423111E+01 -1.275705057065E+01 -1.275596260237E+01 | ||
2845 | 1208 | -1.275484981647E+01 -1.275371169371E+01 -1.275254770517E+01 -1.275135731214E+01 | ||
2846 | 1209 | -1.275013996585E+01 -1.274889510730E+01 -1.274762216705E+01 -1.274632056497E+01 | ||
2847 | 1210 | -1.274498971000E+01 -1.274362899994E+01 -1.274223782115E+01 -1.274081554828E+01 | ||
2848 | 1211 | -1.273936154398E+01 -1.273787515862E+01 -1.273635572991E+01 -1.273480258261E+01 | ||
2849 | 1212 | -1.273321502812E+01 -1.273159236415E+01 -1.272993387427E+01 -1.272823882750E+01 | ||
2850 | 1213 | -1.272650647784E+01 -1.272473606383E+01 -1.272292680799E+01 -1.272107791628E+01 | ||
2851 | 1214 | -1.271918857759E+01 -1.271725796305E+01 -1.271528522545E+01 -1.271326949852E+01 | ||
2852 | 1215 | -1.271120989621E+01 -1.270910551197E+01 -1.270695541787E+01 -1.270475866378E+01 | ||
2853 | 1216 | -1.270251427647E+01 -1.270022125861E+01 -1.269787858778E+01 -1.269548521538E+01 | ||
2854 | 1217 | -1.269304006548E+01 -1.269054203363E+01 -1.268798998558E+01 -1.268538275590E+01 | ||
2855 | 1218 | -1.268271914661E+01 -1.267999792563E+01 -1.267721782519E+01 -1.267437754020E+01 | ||
2856 | 1219 | -1.267147572641E+01 -1.266851099863E+01 -1.266548192868E+01 -1.266238704339E+01 | ||
2857 | 1220 | -1.265922482236E+01 -1.265599369571E+01 -1.265269204166E+01 -1.264931818396E+01 | ||
2858 | 1221 | -1.264587038928E+01 -1.264234686433E+01 -1.263874575298E+01 -1.263506513316E+01 | ||
2859 | 1222 | -1.263130301359E+01 -1.262745733041E+01 -1.262352594361E+01 -1.261950663328E+01 | ||
2860 | 1223 | -1.261539709574E+01 -1.261119493941E+01 -1.260689768056E+01 -1.260250273882E+01 | ||
2861 | 1224 | -1.259800743253E+01 -1.259340897382E+01 -1.258870446354E+01 -1.258389088593E+01 | ||
2862 | 1225 | -1.257896510307E+01 -1.257392384914E+01 -1.256876372431E+01 -1.256348118855E+01 | ||
2863 | 1226 | -1.255807255508E+01 -1.255253398355E+01 -1.254686147304E+01 -1.254105085468E+01 | ||
2864 | 1227 | -1.253509778409E+01 -1.252899773345E+01 -1.252274598333E+01 -1.251633761422E+01 | ||
2865 | 1228 | -1.250976749775E+01 -1.250303028757E+01 -1.249612041003E+01 -1.248903205440E+01 | ||
2866 | 1229 | -1.248175916292E+01 -1.247429542042E+01 -1.246663424370E+01 -1.245876877057E+01 | ||
2867 | 1230 | -1.245069184855E+01 -1.244239602330E+01 -1.243387352673E+01 -1.242511626479E+01 | ||
2868 | 1231 | -1.241611580497E+01 -1.240686336352E+01 -1.239734979239E+01 -1.238756556592E+01 | ||
2869 | 1232 | -1.237750076723E+01 -1.236714507442E+01 -1.235648774656E+01 -1.234551760947E+01 | ||
2870 | 1233 | -1.233422304130E+01 -1.232259195804E+01 -1.231061179889E+01 -1.229826951157E+01 | ||
2871 | 1234 | -1.228555153753E+01 -1.227244379734E+01 -1.225893167594E+01 -1.224500000817E+01 | ||
2872 | 1235 | -1.223063306443E+01 -1.221581453649E+01 -1.220052752381E+01 -1.218475452002E+01 | ||
2873 | 1236 | -1.216847740011E+01 -1.215167740798E+01 -1.213433514481E+01 -1.211643055815E+01 | ||
2874 | 1237 | -1.209794293187E+01 -1.207885087717E+01 -1.205913232476E+01 -1.203876451826E+01 | ||
2875 | 1238 | -1.201772400911E+01 -1.199598665310E+01 -1.197352760862E+01 -1.195032133694E+01 | ||
2876 | 1239 | -1.192634160467E+01 -1.190156148853E+01 -1.187595338282E+01 -1.184948900967E+01 | ||
2877 | 1240 | -1.182213943234E+01 -1.179387507197E+01 -1.176466572783E+01 -1.173448060154E+01 | ||
2878 | 1241 | -1.170328832549E+01 -1.167105699571E+01 -1.163775420964E+01 -1.160334710900E+01 | ||
2879 | 1242 | -1.156780242821E+01 -1.153108654861E+01 -1.149316555899E+01 -1.145400532263E+01 | ||
2880 | 1243 | -1.141357155127E+01 -1.137182988658E+01 -1.132874598913E+01 -1.128428563566E+01 | ||
2881 | 1244 | -1.123841482470E+01 -1.119109989105E+01 -1.114230762952E+01 -1.109200542819E+01 | ||
2882 | 1245 | -1.104016141147E+01 -1.098674459342E+01 -1.093172504147E+01 -1.087507405078E+01 | ||
2883 | 1246 | -1.081676432949E+01 -1.075677019492E+01 -1.069506778083E+01 -1.063163525571E+01 | ||
2884 | 1247 | -1.056645305208E+01 -1.049950410651E+01 -1.043077411016E+01 -1.036025176939E+01 | ||
2885 | 1248 | -1.028792907595E+01 -1.021380158593E+01 -1.013786870671E+01 -1.006013399083E+01 | ||
2886 | 1249 | -9.980605435404E+00 -9.899295785774E+00 -9.816222841400E+00 -9.731409762126E+00 | ||
2887 | 1250 | -9.644885372401E+00 -9.556684460771E+00 -9.466848071612E+00 -9.375423785673E+00 | ||
2888 | 1251 | -9.282465985563E+00 -9.188036101883E+00 -9.092202835221E+00 -8.995042348706E+00 | ||
2889 | 1252 | -8.896638425308E+00 -8.797082583452E+00 -8.696474144007E+00 -8.594920241025E+00 | ||
2890 | 1253 | -8.492535768056E+00 -8.389443251214E+00 -8.285772639585E+00 -8.181661002986E+00 | ||
2891 | 1254 | -8.077252126568E+00 -7.972695991306E+00 -7.868148129087E+00 -7.763768840930E+00 | ||
2892 | 1255 | -7.659722266914E+00 -7.556175296676E+00 -7.453296310043E+00 -7.351253738467E+00 | ||
2893 | 1256 | -7.250214439677E+00 -7.150341880382E+00 -7.051794125250E+00 -6.954721634877E+00 | ||
2894 | 1257 | -6.859264881294E+00 -6.765551797153E+00 -6.673695084265E+00 -6.583789419175E+00 | ||
2895 | 1258 | -6.495908608368E+00 -6.410102764035E+00 -6.326395593782E+00 -6.244781924860E+00 | ||
2896 | 1259 | -6.165225616337E+00 -6.087658052035E+00 -6.011977454045E+00 -5.938049312553E+00 | ||
2897 | 1260 | -5.865708293827E+00 -5.794762066347E+00 -5.724997576998E+00 -5.656190417311E+00 | ||
2898 | 1261 | -5.588118046665E+00 -5.520577788252E+00 -5.453410688386E+00 -5.386560372514E+00 | ||
2899 | 1262 | -5.319978665969E+00 -5.253924903098E+00 -5.188638788322E+00 -5.124164802697E+00 | ||
2900 | 1263 | -5.060492695928E+00 -4.997612386211E+00 -4.935513938446E+00 -4.874187558499E+00 | ||
2901 | 1264 | -4.813623588258E+00 -4.753812501296E+00 -4.694744899059E+00 -4.636411507481E+00 | ||
2902 | 1265 | -4.578803173980E+00 -4.521910864749E+00 -4.465725662304E+00 -4.410238763254E+00 | ||
2903 | 1266 | -4.355441476238E+00 -4.301325220021E+00 -4.247881521709E+00 -4.195102015068E+00 | ||
2904 | 1267 | -4.142978438934E+00 -4.091502635694E+00 -4.040666549830E+00 -3.990462226515E+00 | ||
2905 | 1268 | -3.940881810257E+00 -3.891917543578E+00 -3.843561765734E+00 -3.795806911455E+00 | ||
2906 | 1269 | -3.748645509719E+00 -3.702070182550E+00 -3.656073643836E+00 -3.610648698163E+00 | ||
2907 | 1270 | -3.565788239676E+00 -3.521485250952E+00 -3.477732801889E+00 -3.434524048612E+00 | ||
2908 | 1271 | -3.391852232400E+00 -3.349710678613E+00 -3.308092795651E+00 -3.266992073911E+00 | ||
2909 | 1272 | -3.226402084768E+00 -3.186316479565E+00 -3.146728988615E+00 -3.107633420217E+00 | ||
2910 | 1273 | -3.069023659686E+00 -3.030893668392E+00 -2.993237482813E+00 -2.956049213600E+00 | ||
2911 | 1274 | -2.919323044652E+00 -2.883053232206E+00 -2.847234103934E+00 -2.811860058054E+00 | ||
2912 | 1275 | -2.776925562452E+00 -2.742425153815E+00 -2.708353436773E+00 -2.674705083054E+00 | ||
2913 | 1276 | -2.641474830649E+00 -2.608657482987E+00 -2.576247908118E+00 -2.544241037911E+00 | ||
2914 | 1277 | -2.512631867260E+00 -2.481415453298E+00 -2.450586914621E+00 -2.420141430527E+00 | ||
2915 | 1278 | -2.390074240257E+00 -2.360380642249E+00 -2.331055993403E+00 -2.302095708352E+00 | ||
2916 | 1279 | -2.273495258743E+00 -2.245250172531E+00 -2.217356033273E+00 -2.189808479438E+00 | ||
2917 | 1280 | -2.162603203727E+00 -2.135735952393E+00 -2.109202524577E+00 -2.082998771650E+00 | ||
2918 | 1281 | -2.057120596562E+00 -2.031563953204E+00 -2.006324845766E+00 -1.981399328120E+00 | ||
2919 | 1282 | -1.956783503196E+00 -1.932473522376E+00 -1.908465584885E+00 -1.884755937202E+00 | ||
2920 | 1283 | -1.861340872469E+00 -1.838216729911E+00 -1.815379894263E+00 -1.792826795201E+00 | ||
2921 | 1284 | -1.770553906790E+00 -1.748557746922E+00 -1.726834876780E+00 -1.705381900292E+00 | ||
2922 | 1285 | -1.684195463605E+00 -1.663272254556E+00 -1.642609002157E+00 -1.622202476077E+00 | ||
2923 | 1286 | -1.602049486142E+00 -1.582146881835E+00 -1.562491551797E+00 -1.543080423348E+00 | ||
2924 | 1287 | -1.523910461999E+00 -1.504978670982E+00 -1.486282090778E+00 -1.467817798653E+00 | ||
2925 | 1288 | -1.449582908205E+00 -1.431574568906E+00 -1.413789965660E+00 -1.396226318363E+00 | ||
2926 | 1289 | -1.378880881464E+00 -1.361750943537E+00 -1.344833826858E+00 -1.328126886986E+00 | ||
2927 | 1290 | -1.311627512344E+00 -1.295333123819E+00 -1.279241174350E+00 -1.263349148534E+00 | ||
2928 | 1291 | -1.247654562233E+00 -1.232154962180E+00 -1.216847925601E+00 -1.201731059834E+00 | ||
2929 | 1292 | -1.186802001951E+00 -1.172058418394E+00 -1.157498004606E+00 -1.143118484672E+00 | ||
2930 | 1293 | -1.128917610961E+00 -1.114893163777E+00 -1.101042951010E+00 -1.087364807792E+00 | ||
2931 | 1294 | -1.073856596162E+00 -1.060516204727E+00 -1.047341548334E+00 -1.034330567744E+00 | ||
2932 | 1295 | -1.021481229310E+00 -1.008791524656E+00 -9.962594703667E-01 -9.838831076750E-01 | ||
2933 | 1296 | -9.716605021554E-01 -9.595897434224E-01 -9.476689448310E-01 -9.358962431817E-01 | ||
2934 | 1297 | -9.242697984292E-01 -9.127877933941E-01 -9.014484334793E-01 -8.902499463886E-01 | ||
2935 | 1298 | -8.791905818499E-01 -8.682686113412E-01 -8.574823278204E-01 -8.468300454580E-01 | ||
2936 | 1299 | -8.363100993738E-01 -8.259208453761E-01 -8.156606597048E-01 -8.055279387772E-01 | ||
2937 | 1300 | -7.955210989375E-01 -7.856385762085E-01 -7.758788260479E-01 -7.662403231057E-01 | ||
2938 | 1301 | -7.567215609865E-01 -7.473210520134E-01 -7.380373269955E-01 -7.288689349979E-01 | ||
2939 | 1302 | -7.198144431152E-01 -7.108724362470E-01 -7.020415168769E-01 -6.933203048538E-01 | ||
2940 | 1303 | -6.847074371758E-01 -6.762015677775E-01 -6.678013673193E-01 -6.595055229795E-01 | ||
2941 | 1304 | -6.513127382490E-01 -6.432217327284E-01 -6.352312419282E-01 -6.273400170705E-01 | ||
2942 | 1305 | -6.195468248944E-01 -6.118504474623E-01 -6.042496819702E-01 -5.967433405592E-01 | ||
2943 | 1306 | -5.893302501301E-01 -5.820092521595E-01 -5.747792025189E-01 -5.676389712959E-01 | ||
2944 | 1307 | -5.605874426175E-01 -5.536235144752E-01 -5.467460985533E-01 -5.399541200584E-01 | ||
2945 | 1308 | -5.332465175514E-01 -5.266222427813E-01 -5.200802605219E-01 -5.136195484093E-01 | ||
2946 | 1309 | -5.072390967825E-01 -5.009379085252E-01 -4.947149989101E-01 -4.885693954450E-01 | ||
2947 | 1310 | -4.825001377205E-01 -4.765062772601E-01 -4.705868773717E-01 -4.647410130014E-01 | ||
2948 | 1311 | -4.589677705885E-01 -4.532662479231E-01 -4.476355540048E-01 -4.420748089033E-01 | ||
2949 | 1312 | -4.365831436213E-01 -4.311596999579E-01 -4.258036303751E-01 -4.205140978651E-01 | ||
2950 | 1313 | -4.152902758193E-01 -4.101313478992E-01 -4.050365079086E-01 -4.000049596679E-01 | ||
2951 | 1314 | -3.950359168895E-01 -3.901286030546E-01 -3.852822512922E-01 -3.804961042589E-01 | ||
2952 | 1315 | -3.757694140210E-01 -3.711014419367E-01 -3.664914585417E-01 -3.619387434343E-01 | ||
2953 | 1316 | -3.574425851632E-01 -3.530022811163E-01 -3.486171374106E-01 -3.442864687841E-01 | ||
2954 | 1317 | -3.400095984882E-01 -3.357858581826E-01 -3.316145878299E-01 -3.274951355935E-01 | ||
2955 | 1318 | -3.234268577347E-01 -3.194091185128E-01 -3.154412900853E-01 -3.115227524099E-01 | ||
2956 | 1319 | -3.076528931477E-01 -3.038311075674E-01 -3.000567984505E-01 -2.963293759984E-01 | ||
2957 | 1320 | -2.926482577400E-01 -2.890128684405E-01 -2.854226400118E-01 -2.818770114235E-01 | ||
2958 | 1321 | -2.783754286151E-01 -2.749173444098E-01 -2.715022184286E-01 -2.681295170058E-01 | ||
2959 | 1322 | -2.647987131060E-01 -2.615092862414E-01 -2.582607223902E-01 -2.550525139171E-01 | ||
2960 | 1323 | -2.518841594929E-01 -2.487551640171E-01 -2.456650385397E-01 -2.426133001854E-01 | ||
2961 | 1324 | -2.395994720778E-01 -2.366230832649E-01 -2.336836686457E-01 -2.307807688970E-01 | ||
2962 | 1325 | -2.279139304024E-01 -2.250827051806E-01 -2.222866508158E-01 -2.195253303887E-01 | ||
2963 | 1326 | -2.167983124076E-01 -2.141051707418E-01 -2.114454845543E-01 -2.088188382362E-01 | ||
2964 | 1327 | -2.062248213421E-01 -2.036630285254E-01 -2.011330594755E-01 -1.986345188546E-01 | ||
2965 | 1328 | -1.961670162365E-01 -1.937301660454E-01 -1.913235874955E-01 -1.889469045315E-01 | ||
2966 | 1329 | -1.865997457700E-01 -1.842817444414E-01 -1.819925383324E-01 -1.797317697295E-01 | ||
2967 | 1330 | -1.774990853634E-01 -1.752941363531E-01 -1.731165781522E-01 -1.709660704944E-01 | ||
2968 | 1331 | -1.688422773404E-01 -1.667448668260E-01 -1.646735112093E-01 -1.626278868202E-01 | ||
2969 | 1332 | -1.606076740096E-01 -1.586125570993E-01 -1.566422243327E-01 -1.546963678264E-01 | ||
2970 | 1333 | -1.527746835216E-01 -1.508768711369E-01 -1.490026341214E-01 -1.471516796081E-01 | ||
2971 | 1334 | -1.453237183683E-01 -1.435184647664E-01 -1.417356367153E-01 -1.399749556321E-01 | ||
2972 | 1335 | -1.382361463948E-01 -1.365189372992E-01 -1.348230600165E-01 -1.331482495512E-01 | ||
2973 | 1336 | -1.314942442000E-01 -1.298607855106E-01 -1.282476182414E-01 -1.266544903216E-01 | ||
2974 | 1337 | -1.250811528119E-01 -1.235273598656E-01 -1.219928686899E-01 -1.204774395085E-01 | ||
2975 | 1338 | -1.189808355235E-01 -1.175028228788E-01 -1.160431706235E-01 -1.146016506757E-01 | ||
2976 | 1339 | -1.131780377869E-01 -1.117721095068E-01 -1.103836461487E-01 -1.090124307549E-01 | ||
2977 | 1340 | -1.076582490628E-01 -1.063208894717E-01 -1.050001430096E-01 -1.036958033004E-01 | ||
2978 | 1341 | -1.024076665317E-01 -1.011355314231E-01 -9.987919919473E-02 -9.863847353590E-02 | ||
2979 | 1342 | -9.741316057477E-02 -9.620306884790E-02 -9.500800927030E-02 -9.382779510597E-02 | ||
2980 | 1343 | -9.266224193864E-02 -9.151116764299E-02 -9.037439235619E-02 -8.925173844978E-02 | ||
2981 | 1344 | -8.814303050194E-02 -8.704809527001E-02 -8.596676166351E-02 -8.489886071733E-02 | ||
2982 | 1345 | -8.384422556534E-02 -8.280269141437E-02 -8.177409551837E-02 -8.075827715304E-02 | ||
2983 | 1346 | -7.975507759071E-02 -7.876434007550E-02 -7.778590979886E-02 -7.681963387535E-02 | ||
2984 | 1347 | -7.586536131879E-02 -7.492294301862E-02 -7.399223171661E-02 -7.307308198389E-02 | ||
2985 | 1348 | -7.216535019815E-02 -7.126889452128E-02 -7.038357487714E-02 -6.950925292969E-02 | ||
2986 | 1349 | -6.864579206139E-02 -6.779305735184E-02 -6.695091555668E-02 -6.611923508681E-02 | ||
2987 | 1350 | -6.529788598777E-02 -6.448673991948E-02 -6.368567013617E-02 -6.289455146658E-02 | ||
2988 | 1351 | -6.211326029438E-02 -6.134167453886E-02 -6.057967363588E-02 -5.982713851900E-02 | ||
2989 | 1352 | -5.908395160088E-02 -5.834999675492E-02 -5.762515929708E-02 -5.690932596801E-02 | ||
2990 | 1353 | -5.620238491531E-02 -5.550422567606E-02 -5.481473915957E-02 -5.413381763034E-02 | ||
2991 | 1354 | -5.346135469119E-02 -5.279724526667E-02 -5.214138558662E-02 -5.149367316997E-02 | ||
2992 | 1355 | -5.085400680870E-02 -5.022228655207E-02 | ||
2993 | 1356 | </data> | ||
2994 | 1357 | </radfunc> | ||
2995 | 1358 | </slps> | ||
2996 | 1359 | </semilocal-potentials> | ||
2997 | 1360 | <valence-charge total-charge="6"> | ||
2998 | 1361 | <radfunc> | ||
2999 | 1362 | <data> | ||
3000 | 1363 | 3.239543056484E+00 3.239543062184E+00 3.239543067955E+00 3.239543077752E+00 | ||
3001 | 1364 | 3.239543091725E+00 3.239543110038E+00 3.239543132840E+00 3.239543160295E+00 | ||
3002 | 1365 | 3.239543192575E+00 3.239543229853E+00 3.239543272309E+00 3.239543320127E+00 | ||
3003 | 1366 | 3.239543373496E+00 3.239543432613E+00 3.239543497677E+00 3.239543568897E+00 | ||
3004 | 1367 | 3.239543646483E+00 3.239543730654E+00 3.239543821637E+00 3.239543919661E+00 | ||
3005 | 1368 | 3.239544024964E+00 3.239544137792E+00 3.239544258396E+00 3.239544387035E+00 | ||
3006 | 1369 | 3.239544523974E+00 3.239544669487E+00 3.239544823856E+00 3.239544987370E+00 | ||
3007 | 1370 | 3.239545160326E+00 3.239545343030E+00 3.239545535796E+00 3.239545738948E+00 | ||
3008 | 1371 | 3.239545952817E+00 3.239546177745E+00 3.239546414083E+00 3.239546662191E+00 | ||
3009 | 1372 | 3.239546922441E+00 3.239547195214E+00 3.239547480900E+00 3.239547779904E+00 | ||
3010 | 1373 | 3.239548092637E+00 3.239548419527E+00 3.239548761008E+00 3.239549117530E+00 | ||
3011 | 1374 | 3.239549489555E+00 3.239549877556E+00 3.239550282020E+00 3.239550703447E+00 | ||
3012 | 1375 | 3.239551142352E+00 3.239551599262E+00 3.239552074721E+00 3.239552569285E+00 | ||
3013 | 1376 | 3.239553083527E+00 3.239553618035E+00 3.239554173414E+00 3.239554750283E+00 | ||
3014 | 1377 | 3.239555349282E+00 3.239555971063E+00 3.239556616301E+00 3.239557285685E+00 | ||
3015 | 1378 | 3.239557979926E+00 3.239558699753E+00 3.239559445912E+00 3.239560219174E+00 | ||
3016 | 1379 | 3.239561020328E+00 3.239561850184E+00 3.239562709575E+00 3.239563599356E+00 | ||
3017 | 1380 | 3.239564520404E+00 3.239565473622E+00 3.239566459935E+00 3.239567480293E+00 | ||
3018 | 1381 | 3.239568535673E+00 3.239569627077E+00 3.239570755533E+00 3.239571922098E+00 | ||
3019 | 1382 | 3.239573127858E+00 3.239574373925E+00 3.239575661444E+00 3.239576991588E+00 | ||
3020 | 1383 | 3.239578365562E+00 3.239579784604E+00 3.239581249984E+00 3.239582763006E+00 | ||
3021 | 1384 | 3.239584325008E+00 3.239585937366E+00 3.239587601489E+00 3.239589318827E+00 | ||
3022 | 1385 | 3.239591090864E+00 3.239592919129E+00 3.239594805185E+00 3.239596750643E+00 | ||
3023 | 1386 | 3.239598757151E+00 3.239600826404E+00 3.239602960140E+00 3.239605160145E+00 | ||
3024 | 1387 | 3.239607428249E+00 3.239609766333E+00 3.239612176326E+00 3.239614660208E+00 | ||
3025 | 1388 | 3.239617220013E+00 3.239619857826E+00 3.239622575788E+00 3.239625376096E+00 | ||
3026 | 1389 | 3.239628261005E+00 3.239631232829E+00 3.239634293943E+00 3.239637446785E+00 | ||
3027 | 1390 | 3.239640693854E+00 3.239644037719E+00 3.239647481012E+00 3.239651026437E+00 | ||
3028 | 1391 | 3.239654676768E+00 3.239658434850E+00 3.239662303604E+00 3.239666286028E+00 | ||
3029 | 1392 | 3.239670385197E+00 3.239674604266E+00 3.239678946473E+00 3.239683415142E+00 | ||
3030 | 1393 | 3.239688013681E+00 3.239692745589E+00 3.239697614455E+00 3.239702623963E+00 | ||
3031 | 1394 | 3.239707777890E+00 3.239713080115E+00 3.239718534615E+00 3.239724145473E+00 | ||
3032 | 1395 | 3.239729916877E+00 3.239735853122E+00 3.239741958619E+00 3.239748237890E+00 | ||
3033 | 1396 | 3.239754695575E+00 3.239761336436E+00 3.239768165358E+00 3.239775187352E+00 | ||
3034 | 1397 | 3.239782407559E+00 3.239789831255E+00 3.239797463851E+00 3.239805310899E+00 | ||
3035 | 1398 | 3.239813378094E+00 3.239821671280E+00 3.239830196452E+00 3.239838959759E+00 | ||
3036 | 1399 | 3.239847967509E+00 3.239857226176E+00 3.239866742399E+00 3.239876522988E+00 | ||
3037 | 1400 | 3.239886574931E+00 3.239896905397E+00 3.239907521737E+00 3.239918431495E+00 | ||
3038 | 1401 | 3.239929642409E+00 3.239941162416E+00 3.239952999658E+00 3.239965162488E+00 | ||
3039 | 1402 | 3.239977659474E+00 3.239990499404E+00 3.240003691295E+00 3.240017244393E+00 | ||
3040 | 1403 | 3.240031168185E+00 3.240045472403E+00 3.240060167026E+00 3.240075262294E+00 | ||
3041 | 1404 | 3.240090768707E+00 3.240106697039E+00 3.240123058340E+00 3.240139863942E+00 | ||
3042 | 1405 | 3.240157125471E+00 3.240174854851E+00 3.240193064315E+00 3.240211766406E+00 | ||
3043 | 1406 | 3.240230973993E+00 3.240250700274E+00 3.240270958787E+00 3.240291763418E+00 | ||
3044 | 1407 | 3.240313128409E+00 3.240335068367E+00 3.240357598275E+00 3.240380733500E+00 | ||
3045 | 1408 | 3.240404489805E+00 3.240428883355E+00 3.240453930732E+00 3.240479648941E+00 | ||
3046 | 1409 | 3.240506055426E+00 3.240533168074E+00 3.240561005236E+00 3.240589585728E+00 | ||
3047 | 1410 | 3.240618928853E+00 3.240649054404E+00 3.240679982685E+00 3.240711734517E+00 | ||
3048 | 1411 | 3.240744331257E+00 3.240777794807E+00 3.240812147630E+00 3.240847412764E+00 | ||
3049 | 1412 | 3.240883613837E+00 3.240920775082E+00 3.240958921352E+00 3.240998078133E+00 | ||
3050 | 1413 | 3.241038271568E+00 3.241079528463E+00 3.241121876314E+00 3.241165343317E+00 | ||
3051 | 1414 | 3.241209958391E+00 3.241255751193E+00 3.241302752136E+00 3.241350992415E+00 | ||
3052 | 1415 | 3.241400504017E+00 3.241451319748E+00 3.241503473253E+00 3.241556999035E+00 | ||
3053 | 1416 | 3.241611932479E+00 3.241668309871E+00 3.241726168425E+00 3.241785546306E+00 | ||
3054 | 1417 | 3.241846482651E+00 3.241909017597E+00 3.241973192304E+00 3.242039048983E+00 | ||
3055 | 1418 | 3.242106630920E+00 3.242175982507E+00 3.242247149267E+00 3.242320177885E+00 | ||
3056 | 1419 | 3.242395116233E+00 3.242472013407E+00 3.242550919752E+00 3.242631886897E+00 | ||
3057 | 1420 | 3.242714967786E+00 3.242800216714E+00 3.242887689356E+00 3.242977442807E+00 | ||
3058 | 1421 | 3.243069535616E+00 3.243164027824E+00 3.243260980998E+00 3.243360458275E+00 | ||
3059 | 1422 | 3.243462524399E+00 3.243567245762E+00 3.243674690444E+00 3.243784928260E+00 | ||
3060 | 1423 | 3.243898030800E+00 3.244014071476E+00 3.244133125567E+00 3.244255270267E+00 | ||
3061 | 1424 | 3.244380584733E+00 3.244509150136E+00 3.244641049711E+00 3.244776368807E+00 | ||
3062 | 1425 | 3.244915194945E+00 3.245057617869E+00 3.245203729606E+00 3.245353624520E+00 | ||
3063 | 1426 | 3.245507399372E+00 3.245665153382E+00 3.245826988292E+00 3.245993008427E+00 | ||
3064 | 1427 | 3.246163320761E+00 3.246338034985E+00 3.246517263575E+00 3.246701121864E+00 | ||
3065 | 1428 | 3.246889728109E+00 3.247083203573E+00 3.247281672593E+00 3.247485262663E+00 | ||
3066 | 1429 | 3.247694104512E+00 3.247908332182E+00 3.248128083120E+00 3.248353498256E+00 | ||
3067 | 1430 | 3.248584722093E+00 3.248821902801E+00 3.249065192304E+00 3.249314746378E+00 | ||
3068 | 1431 | 3.249570724746E+00 3.249833291182E+00 3.250102613605E+00 3.250378864192E+00 | ||
3069 | 1432 | 3.250662219480E+00 3.250952860477E+00 3.251250972776E+00 3.251556746669E+00 | ||
3070 | 1433 | 3.251870377264E+00 3.252192064609E+00 3.252522013815E+00 3.252860435185E+00 | ||
3071 | 1434 | 3.253207544339E+00 3.253563562355E+00 3.253928715901E+00 3.254303237379E+00 | ||
3072 | 1435 | 3.254687365066E+00 3.255081343262E+00 3.255485422443E+00 3.255899859417E+00 | ||
3073 | 1436 | 3.256324917477E+00 3.256760866571E+00 3.257207983464E+00 3.257666551910E+00 | ||
3074 | 1437 | 3.258136862828E+00 3.258619214483E+00 3.259113912665E+00 3.259621270882E+00 | ||
3075 | 1438 | 3.260141610552E+00 3.260675261200E+00 3.261222560661E+00 3.261783855290E+00 | ||
3076 | 1439 | 3.262359500169E+00 3.262949859334E+00 3.263555305990E+00 3.264176222746E+00 | ||
3077 | 1440 | 3.264813001844E+00 3.265466045406E+00 3.266135765675E+00 3.266822585268E+00 | ||
3078 | 1441 | 3.267526937437E+00 3.268249266332E+00 3.268990027271E+00 3.269749687020E+00 | ||
3079 | 1442 | 3.270528724077E+00 3.271327628961E+00 3.272146904516E+00 3.272987066209E+00 | ||
3080 | 1443 | 3.273848642452E+00 3.274732174916E+00 3.275638218863E+00 3.276567343480E+00 | ||
3081 | 1444 | 3.277520132226E+00 3.278497183186E+00 3.279499109426E+00 3.280526539371E+00 | ||
3082 | 1445 | 3.281580117179E+00 3.282660503131E+00 3.283768374027E+00 3.284904423594E+00 | ||
3083 | 1446 | 3.286069362903E+00 3.287263920791E+00 3.288488844305E+00 3.289744899142E+00 | ||
3084 | 1447 | 3.291032870111E+00 3.292353561598E+00 3.293707798048E+00 3.295096424454E+00 | ||
3085 | 1448 | 3.296520306859E+00 3.297980332872E+00 3.299477412189E+00 3.301012477139E+00 | ||
3086 | 1449 | 3.302586483225E+00 3.304200409697E+00 3.305855260122E+00 3.307552062976E+00 | ||
3087 | 1450 | 3.309291872247E+00 3.311075768054E+00 3.312904857275E+00 3.314780274199E+00 | ||
3088 | 1451 | 3.316703181177E+00 3.318674769309E+00 3.320696259124E+00 3.322768901296E+00 | ||
3089 | 1452 | 3.324893977358E+00 3.327072800449E+00 3.329306716060E+00 3.331597102814E+00 | ||
3090 | 1453 | 3.333945373251E+00 3.336352974633E+00 3.338821389773E+00 3.341352137871E+00 | ||
3091 | 1454 | 3.343946775381E+00 3.346606896884E+00 3.349334135993E+00 3.352130166262E+00 | ||
3092 | 1455 | 3.354996702131E+00 3.357935499880E+00 3.360948358603E+00 3.364037121211E+00 | ||
3093 | 1456 | 3.367203675450E+00 3.370449954935E+00 3.373777940220E+00 3.377189659874E+00 | ||
3094 | 1457 | 3.380687191590E+00 3.384272663310E+00 3.387948254377E+00 3.391716196708E+00 | ||
3095 | 1458 | 3.395578775989E+00 3.399538332892E+00 3.403597264326E+00 3.407758024696E+00 | ||
3096 | 1459 | 3.412023127199E+00 3.416395145136E+00 3.420876713257E+00 3.425470529122E+00 | ||
3097 | 1460 | 3.430179354491E+00 3.435006016741E+00 3.439953410304E+00 3.445024498132E+00 | ||
3098 | 1461 | 3.450222313192E+00 3.455549959973E+00 3.461010616037E+00 3.466607533579E+00 | ||
3099 | 1462 | 3.472344041023E+00 3.478223544638E+00 3.484249530180E+00 3.490425564563E+00 | ||
3100 | 1463 | 3.496755297547E+00 3.503242463459E+00 3.509890882934E+00 3.516704464679E+00 | ||
3101 | 1464 | 3.523687207264E+00 3.530843200936E+00 3.538176629451E+00 3.545691771934E+00 | ||
3102 | 1465 | 3.553393004759E+00 3.561284803445E+00 3.569371744582E+00 3.577658507763E+00 | ||
3103 | 1466 | 3.586149877547E+00 3.594850745431E+00 3.603766111843E+00 3.612901088143E+00 | ||
3104 | 1467 | 3.622260898645E+00 3.631850882647E+00 3.641676496471E+00 3.651743315514E+00 | ||
3105 | 1468 | 3.662057036303E+00 3.672623478556E+00 3.683448587247E+00 3.694538434668E+00 | ||
3106 | 1469 | 3.705899222491E+00 3.717537283825E+00 3.729459085262E+00 3.741671228920E+00 | ||
3107 | 1470 | 3.754180454461E+00 3.766993641102E+00 3.780117809595E+00 3.793560124190E+00 | ||
3108 | 1471 | 3.807327894562E+00 3.821428577710E+00 3.835869779811E+00 3.850659258035E+00 | ||
3109 | 1472 | 3.865804922309E+00 3.881314837025E+00 3.897197222692E+00 3.913460457511E+00 | ||
3110 | 1473 | 3.930113078889E+00 3.947163784861E+00 3.964621435428E+00 3.982495053801E+00 | ||
3111 | 1474 | 4.000793827532E+00 4.019527109540E+00 4.038704419009E+00 4.058335442154E+00 | ||
3112 | 1475 | 4.078430032844E+00 4.098998213071E+00 4.120050173250E+00 4.141596272347E+00 | ||
3113 | 1476 | 4.163647037814E+00 4.186213165317E+00 4.209305518250E+00 4.232935127018E+00 | ||
3114 | 1477 | 4.257113188067E+00 4.281851062653E+00 4.307160275334E+00 4.333052512154E+00 | ||
3115 | 1478 | 4.359539618522E+00 4.386633596742E+00 4.414346603201E+00 4.442690945163E+00 | ||
3116 | 1479 | 4.471679077178E+00 4.501323597059E+00 4.531637241417E+00 4.562632880723E+00 | ||
3117 | 1480 | 4.594323513869E+00 4.626722262211E+00 4.659842363054E+00 4.693697162556E+00 | ||
3118 | 1481 | 4.728300108020E+00 4.763664739539E+00 4.799804680969E+00 4.836733630187E+00 | ||
3119 | 1482 | 4.874465348607E+00 4.913013649905E+00 4.952392387939E+00 4.992615443793E+00 | ||
3120 | 1483 | 5.033696711939E+00 5.075650085449E+00 5.118489440226E+00 5.162228618216E+00 | ||
3121 | 1484 | 5.206881409540E+00 5.252461533523E+00 5.298982618546E+00 5.346458180699E+00 | ||
3122 | 1485 | 5.394901601166E+00 5.444326102310E+00 5.494744722388E+00 5.546170288860E+00 | ||
3123 | 1486 | 5.598615390237E+00 5.652092346406E+00 5.706613177394E+00 5.762189570505E+00 | ||
3124 | 1487 | 5.818832845785E+00 5.876553919753E+00 5.935363267361E+00 5.995270882110E+00 | ||
3125 | 1488 | 6.056286234289E+00 6.118418227276E+00 6.181675151851E+00 6.246064638491E+00 | ||
3126 | 1489 | 6.311593607570E+00 6.378268217458E+00 6.446093810448E+00 6.515074856500E+00 | ||
3127 | 1490 | 6.585214894747E+00 6.656516472754E+00 6.728981083501E+00 6.802609100061E+00 | ||
3128 | 1491 | 6.877399707984E+00 6.953350835369E+00 7.030459080630E+00 7.108719637970E+00 | ||
3129 | 1492 | 7.188126220592E+00 7.268670981669E+00 7.350344433127E+00 7.433135362293E+00 | ||
3130 | 1493 | 7.517030746483E+00 7.602015665612E+00 7.688073212930E+00 7.775184404004E+00 | ||
3131 | 1494 | 7.863328084078E+00 7.952480833980E+00 8.042616874740E+00 8.133707971133E+00 | ||
3132 | 1495 | 8.225723334364E+00 8.318629524154E+00 8.412390350500E+00 8.506966775413E+00 | ||
3133 | 1496 | 8.602316814980E+00 8.698395442115E+00 8.795154490393E+00 8.892542559413E+00 | ||
3134 | 1497 | 8.990504922160E+00 9.088983434867E+00 9.187916449934E+00 9.287238732473E+00 | ||
3135 | 1498 | 9.386881381128E+00 9.486771753813E+00 9.586833399077E+00 9.686985993859E+00 | ||
3136 | 1499 | 9.787145288397E+00 9.887223059131E+00 9.987127070456E+00 1.008676104624E+01 | ||
3137 | 1500 | 1.018602465203E+01 1.028481348893E+01 1.038301910009E+01 1.048052899100E+01 | ||
3138 | 1501 | 1.057722666435E+01 1.067299167086E+01 1.076769967683E+01 1.086122254969E+01 | ||
3139 | 1502 | 1.095342846262E+01 1.104418201906E+01 1.113334439853E+01 1.122077352437E+01 | ||
3140 | 1503 | 1.130632425458E+01 1.138984859664E+01 1.147119594696E+01 1.155021335593E+01 | ||
3141 | 1504 | 1.162674581899E+01 1.170063659430E+01 1.177172754742E+01 1.183985952317E+01 | ||
3142 | 1505 | 1.190487274460E+01 1.196660723911E+01 1.202490329122E+01 1.207960192130E+01 | ||
3143 | 1506 | 1.213054538967E+01 1.217757772459E+01 1.222054527299E+01 1.225929727215E+01 | ||
3144 | 1507 | 1.229368644021E+01 1.232356958330E+01 1.234880821639E+01 1.236926919510E+01 | ||
3145 | 1508 | 1.238482535481E+01 1.239535615356E+01 1.240074831465E+01 1.240089646446E+01 | ||
3146 | 1509 | 1.239570376107E+01 1.238508250855E+01 1.236895475186E+01 1.234725284702E+01 | ||
3147 | 1510 | 1.231992000096E+01 1.228691077561E+01 1.224819155043E+01 1.220374093784E+01 | ||
3148 | 1511 | 1.215355014618E+01 1.209762328471E+01 1.203597760583E+01 1.196864367967E+01 | ||
3149 | 1512 | 1.189566549708E+01 1.181710049723E+01 1.173301951682E+01 1.164350665885E+01 | ||
3150 | 1513 | 1.154865907923E+01 1.144858669097E+01 1.134341178622E+01 1.123326857774E+01 | ||
3151 | 1514 | 1.111830266223E+01 1.099867040934E+01 1.087453828083E+01 1.074608208593E+01 | ||
3152 | 1515 | 1.061348617964E+01 1.047694261176E+01 1.033665023547E+01 1.019281378477E+01 | ||
3153 | 1516 | 1.004564293097E+01 9.895351328783E+00 9.742155662554E+00 9.586274703782E+00 | ||
3154 | 1517 | 9.427928390269E+00 9.267336937236E+00 9.104719989878E+00 8.940295825976E+00 | ||
3155 | 1518 | 8.774280616046E+00 8.606887747115E+00 8.438327214740E+00 8.268805086145E+00 | ||
3156 | 1519 | 8.098523035629E+00 7.927677951526E+00 7.756461612232E+00 7.585060427094E+00 | ||
3157 | 1520 | 7.413655236374E+00 7.242421163215E+00 7.071527509498E+00 6.901137686847E+00 | ||
3158 | 1521 | 6.731409173825E+00 6.562493490637E+00 6.394536183396E+00 6.227676811305E+00 | ||
3159 | 1522 | 6.062048931812E+00 5.897780080952E+00 5.734991748588E+00 5.573799350872E+00 | ||
3160 | 1523 | 5.414312204977E+00 5.256633513649E+00 5.100860369231E+00 4.947083788302E+00 | ||
3161 | 1524 | 4.795388788630E+00 4.645854519595E+00 4.498554455297E+00 4.353556656144E+00 | ||
3162 | 1525 | 4.210924099604E+00 4.070715074104E+00 3.932983621696E+00 3.797780005376E+00 | ||
3163 | 1526 | 3.665151166008E+00 3.535141121961E+00 3.407791252140E+00 3.283140390206E+00 | ||
3164 | 1527 | 3.161224638928E+00 3.042076805847E+00 2.925725462535E+00 2.812193874611E+00 | ||
3165 | 1528 | 2.701499634819E+00 2.593655260010E+00 2.488667983994E+00 2.386540099286E+00 | ||
3166 | 1529 | 2.287269092806E+00 2.190847848743E+00 2.097264843888E+00 2.006504349594E+00 | ||
3167 | 1530 | 1.918546637439E+00 1.833368187912E+00 1.750941901248E+00 1.671237309578E+00 | ||
3168 | 1531 | 1.594220789590E+00 1.519855774928E+00 1.448102967598E+00 1.378920547680E+00 | ||
3169 | 1532 | 1.312264380710E+00 1.248088222076E+00 1.186343917909E+00 1.126981601882E+00 | ||
3170 | 1533 | 1.069949887477E+00 1.015196055251E+00 9.626662347046E-01 9.123055804039E-01 | ||
3171 | 1534 | 8.640584420284E-01 8.178685280806E-01 7.736790630194E-01 7.314329376246E-01 | ||
3172 | 1535 | 6.910728524378E-01 6.525414541589E-01 6.157814649168E-01 5.807358043616E-01 | ||
3173 | 1536 | 5.473477045617E-01 5.155608177167E-01 4.853193167248E-01 4.565679886725E-01 | ||
3174 | 1537 | 4.292523213354E-01 4.033185828034E-01 3.787138943634E-01 3.553862967921E-01 | ||
3175 | 1538 | 3.332848102267E-01 3.123594877974E-01 2.925614632198E-01 2.738429925540E-01 | ||
3176 | 1539 | 2.561574903487E-01 2.394595603982E-01 2.237050213431E-01 2.088509273542E-01 | ||
3177 | 1540 | 1.948555841404E-01 1.816785605258E-01 1.692806958410E-01 1.576241033736E-01 | ||
3178 | 1541 | 1.466721701229E-01 1.363895531018E-01 1.267421724233E-01 1.176972014101E-01 | ||
3179 | 1542 | 1.092230539557E-01 1.012893693648E-01 9.386699489192E-02 8.692796619323E-02 | ||
3180 | 1543 | 8.044548589647E-02 7.439390049050E-02 6.874867572527E-02 6.348637070691E-02 | ||
3181 | 1544 | 5.858461086370E-02 5.402205995096E-02 4.977839125403E-02 4.583425814052E-02 | ||
3182 | 1545 | 4.217126410413E-02 3.877193243427E-02 3.561967563693E-02 3.269876472414E-02 | ||
3183 | 1546 | 2.999429848117E-02 2.749217281249E-02 2.517905025955E-02 2.304232977601E-02 | ||
3184 | 1547 | 2.107011683825E-02 1.925119396211E-02 1.757499168950E-02 1.603156010211E-02 | ||
3185 | 1548 | 1.461154091273E-02 1.330614017878E-02 1.210710167666E-02 1.100668096998E-02 | ||
3186 | 1549 | 9.997620199551E-03 9.073123617883E-03 8.226833886551E-03 7.452809150134E-03 | ||
3187 | 1550 | 6.745500896602E-03 6.099732610117E-03 5.510679218819E-03 4.973847336898E-03 | ||
3188 | 1551 | 4.485056297380E-03 4.040419969343E-03 3.636329350900E-03 3.269435927101E-03 | ||
3189 | 1552 | 2.936635779989E-03 2.635054436317E-03 2.362032436963E-03 2.115111610763E-03 | ||
3190 | 1553 | 1.892022034400E-03 1.690669659041E-03 1.509124583672E-03 1.345609954476E-03 | ||
3191 | 1554 | 1.198491469119E-03 1.066267464528E-03 9.475595664861E-04 8.411038793160E-04 | ||
3192 | 1555 | 7.457426939277E-04 6.604166925832E-04 5.841576289405E-04 5.160814621783E-04 | ||
3193 | 1556 | 4.553819243291E-04 4.013245003231E-04 3.532408006737E-04 3.105233072004E-04 | ||
3194 | 1557 | 2.726204726931E-04 2.390321559531E-04 2.093053742045E-04 1.830303554496E-04 | ||
3195 | 1558 | 1.598368739305E-04 1.393908524640E-04 1.213912160256E-04 1.055669815690E-04 | ||
3196 | 1559 | 9.167456968312E-05 7.949532429412E-05 6.883322722952E-05 5.951279505601E-05 | ||
3197 | 1560 | 5.137714619344E-05 4.428622688570E-05 3.811518517612E-05 3.275288258924E-05 | ||
3198 | 1561 | 2.810053376078E-05 2.407046478297E-05 2.058498154253E-05 1.757533982248E-05 | ||
3199 | 1562 | 1.498080941663E-05 1.274782496662E-05 1.082921667523E-05 9.183514476824E-06 | ||
3200 | 1563 | 7.774319655394E-06 6.569738293376E-06 5.541871309885E-06 4.666356205528E-06 | ||
3201 | 1564 | 3.921955972616E-06 3.290190954576E-06 2.755009746985E-06 2.302495525120E-06 | ||
3202 | 1565 | 1.920604459563E-06 1.598933142651E-06 1.328512194618E-06 1.101623449786E-06 | ||
3203 | 1566 | 9.116383402899E-07 7.528752982747E-07 6.204741875295E-07 5.102859527691E-07 | ||
3204 | 1567 | 4.187758396660E-07 3.429386918028E-07 2.802249724848E-07 2.284762903515E-07 | ||
3205 | 1568 | 1.858693284886E-07 1.508671877931E-07 1.221772572321E-07 9.871481686709E-08 | ||
3206 | 1569 | 7.957166462922E-08 6.398913532684E-08 5.133495074830E-08 4.108340348014E-08 | ||
3207 | 1570 | 3.279843466216E-08 2.611921780435E-08 2.074790743434E-08 1.643925314682E-08 | ||
3208 | 1571 | 1.299181698875E-08 1.024056541507E-08 8.050636647349E-09 6.312110501082E-09 | ||
3209 | 1572 | 4.935630931080E-09 3.848751975298E-09 2.992895729664E-09 2.320826714699E-09 | ||
3210 | 1573 | 1.794560733791E-09 1.383638288722E-09 1.063703007972E-09 8.153345376396E-10 | ||
3211 | 1574 | 6.230931070768E-10 4.747396596976E-10 3.606011672509E-10 2.730556429962E-10 | ||
3212 | 1575 | 2.061155428706E-10 1.550917893504E-10 1.163236550512E-10 8.696227710891E-11 | ||
3213 | 1576 | 6.479770504053E-11 4.812117200117E-11 3.561577274868E-11 2.626997525785E-11 | ||
3214 | 1577 | 1.930942501038E-11 1.414335453701E-11 1.032261421228E-11 7.506917953804E-12 | ||
3215 | 1578 | 5.439370144461E-12 3.926725460368E-12 2.824146324674E-12 2.023476052350E-12 | ||
3216 | 1579 | 1.444250020098E-12 1.026831272762E-12 7.271882676156E-13 5.129371065261E-13 | ||
3217 | 1580 | 3.603536933785E-13 2.521269619427E-13 1.756760751682E-13 1.218950983597E-13 | ||
3218 | 1581 | 8.422036948421E-14 5.794046989926E-14 3.968782044085E-14 2.706568016748E-14 | ||
3219 | 1582 | 1.837565772681E-14 1.241951324236E-14 8.355629298231E-15 5.595533735174E-15 | ||
3220 | 1583 | 3.729633678476E-15 2.474157600851E-15 1.633424094516E-15 1.073135427002E-15 | ||
3221 | 1584 | 7.015640286654E-16 4.563627535707E-16 2.953627464101E-16 1.901849270929E-16 | ||
3222 | 1585 | 1.218268951910E-16 7.762979916957E-17 4.920430421842E-17 3.101971843888E-17 | ||
3223 | 1586 | 1.944926273066E-17 1.212743648230E-17 7.519779583605E-18 4.636398228297E-18 | ||
3224 | 1587 | 2.842266294981E-18 1.732310418156E-18 1.049619032984E-18 6.321940643717E-19 | ||
3225 | 1588 | 3.784854343754E-19 2.252137285372E-19 1.331845846774E-19 7.826949422842E-20 | ||
3226 | 1589 | 4.570631315924E-20 2.651979420995E-20 1.528759487877E-20 8.754826768967E-21 | ||
3227 | 1590 | 4.980342334770E-21 2.814086865230E-21 1.579230141144E-21 8.801272430012E-22 | ||
3228 | 1591 | 4.870792624362E-22 2.676513851168E-22 1.460212599586E-22 7.908607092968E-23 | ||
3229 | 1592 | 4.251882911962E-23 2.268921941886E-23 1.201638519028E-23 6.315426809699E-24 | ||
3230 | 1593 | 3.293549384373E-24 1.704181172836E-24 8.748113787554E-25 4.454680756638E-25 | ||
3231 | 1594 | 2.249977254854E-25 1.127079032745E-25 5.598865996265E-26 2.757842275843E-26 | ||
3232 | 1595 | 1.346840097249E-26 6.520680766095E-27 3.129338655738E-27 1.488492845151E-27 | ||
3233 | 1596 | 7.016600135678E-28 3.277503068313E-28 1.516861332537E-28 6.954796200672E-29 | ||
3234 | 1597 | 3.158692946769E-29 1.420898190775E-29 6.329923738467E-30 2.792291238684E-30 | ||
3235 | 1598 | 1.219539158396E-30 5.272893325244E-31 2.256654796428E-31 9.558465838703E-32 | ||
3236 | 1599 | 4.006466128485E-32 1.661604130914E-32 6.817549709713E-33 2.766972526974E-33 | ||
3237 | 1600 | 1.110701966070E-33 4.409060055876E-34 1.730569812934E-34 6.715292736186E-35 | ||
3238 | 1601 | 2.575791977565E-35 9.764795092692E-36 3.658117811908E-36 1.354033239148E-36 | ||
3239 | 1602 | 4.951218570827E-37 1.788295242482E-37 6.378859833053E-38 2.246751909347E-38 | ||
3240 | 1603 | 7.812787969104E-39 2.681794959257E-39 9.085369131617E-40 3.037281299168E-40 | ||
3241 | 1604 | 1.001797465294E-40 3.259518327398E-41 1.045997594705E-41 3.310060454349E-42 | ||
3242 | 1605 | 1.032743343568E-42 3.176306500698E-43 9.628246832266E-44 2.875988414417E-44 | ||
3243 | 1606 | 8.463722815473E-45 2.453513016539E-45 7.004629170992E-46 1.969100756558E-46 | ||
3244 | 1607 | 5.449439486873E-47 1.484399682166E-47 3.979036487763E-48 1.049409194159E-48 | ||
3245 | 1608 | 2.722465524937E-49 6.946084628143E-50 1.742554387871E-50 4.297426728921E-51 | ||
3246 | 1609 | 1.041627874589E-51 2.480867696691E-52 5.804773009395E-53 1.334012888634E-53 | ||
3247 | 1610 | 3.010434995326E-54 6.669495599303E-55 1.450273968060E-55 3.094553496408E-56 | ||
3248 | 1611 | 6.477883086420E-57 1.329996154488E-57 2.677586686724E-58 5.284512975137E-59 | ||
3249 | 1612 | 1.022176168633E-59 1.937294474741E-60 3.596690312895E-61 6.539356728946E-62 | ||
3250 | 1613 | 1.164065167991E-62 2.028215856359E-63 3.458028946659E-64 5.767694087862E-65 | ||
3251 | 1614 | 9.408386132835E-66 1.500535070938E-66 2.339228488820E-67 3.563449269701E-68 | ||
3252 | 1615 | 5.302913079289E-69 7.706861630466E-70 1.093531887251E-70 1.514420463506E-71 | ||
3253 | 1616 | 2.046404496012E-72 2.697329103711E-73 3.466888364449E-74 4.343840504650E-75 | ||
3254 | 1617 | 5.303946409405E-76 6.309246932213E-77 7.309189543587E-78 8.243919272606E-79 | ||
3255 | 1618 | 9.049561976427E-80 9.665166048291E-81 1.003989855188E-81 1.014030759440E-82 | ||
3256 | 1619 | 9.953920890798E-84 9.497429078377E-85 8.822342564149E-86 7.956356222876E-87 | ||
3257 | 1620 | 6.963625371502E-88 5.912672946578E-89 | ||
3258 | 1621 | </data> | ||
3259 | 1622 | </radfunc> | ||
3260 | 1623 | </valence-charge> | ||
3261 | 1624 | <pseudo-wave-functions set="non_relativistic"> | ||
3262 | 1625 | <pswf n="2" l="s"> | ||
3263 | 1626 | <radfunc> | ||
3264 | 1627 | <data> | ||
3265 | 1628 | 1.272702451529E+00 1.272702451540E+00 1.272702451550E+00 1.272702451568E+00 | ||
3266 | 1629 | 1.272702451594E+00 1.272702451630E+00 1.272702451673E+00 1.272702451725E+00 | ||
3267 | 1630 | 1.272702451786E+00 1.272702451855E+00 1.272702451935E+00 1.272702452024E+00 | ||
3268 | 1631 | 1.272702452123E+00 1.272702452233E+00 1.272702452355E+00 1.272702452487E+00 | ||
3269 | 1632 | 1.272702452631E+00 1.272702452788E+00 1.272702452957E+00 1.272702453140E+00 | ||
3270 | 1633 | 1.272702453336E+00 1.272702453545E+00 1.272702453770E+00 1.272702454009E+00 | ||
3271 | 1634 | 1.272702454264E+00 1.272702454534E+00 1.272702454821E+00 1.272702455125E+00 | ||
3272 | 1635 | 1.272702455447E+00 1.272702455786E+00 1.272702456145E+00 1.272702456522E+00 | ||
3273 | 1636 | 1.272702456920E+00 1.272702457338E+00 1.272702457778E+00 1.272702458239E+00 | ||
3274 | 1637 | 1.272702458723E+00 1.272702459230E+00 1.272702459761E+00 1.272702460317E+00 | ||
3275 | 1638 | 1.272702460898E+00 1.272702461506E+00 1.272702462141E+00 1.272702462803E+00 | ||
3276 | 1639 | 1.272702463495E+00 1.272702464216E+00 1.272702464968E+00 1.272702465751E+00 | ||
3277 | 1640 | 1.272702466567E+00 1.272702467417E+00 1.272702468301E+00 1.272702469220E+00 | ||
3278 | 1641 | 1.272702470176E+00 1.272702471169E+00 1.272702472202E+00 1.272702473274E+00 | ||
3279 | 1642 | 1.272702474388E+00 1.272702475543E+00 1.272702476743E+00 1.272702477987E+00 | ||
3280 | 1643 | 1.272702479278E+00 1.272702480616E+00 1.272702482003E+00 1.272702483440E+00 | ||
3281 | 1644 | 1.272702484929E+00 1.272702486472E+00 1.272702488069E+00 1.272702489723E+00 | ||
3282 | 1645 | 1.272702491435E+00 1.272702493207E+00 1.272702495041E+00 1.272702496937E+00 | ||
3283 | 1646 | 1.272702498899E+00 1.272702500928E+00 1.272702503025E+00 1.272702505194E+00 | ||
3284 | 1647 | 1.272702507435E+00 1.272702509751E+00 1.272702512145E+00 1.272702514617E+00 | ||
3285 | 1648 | 1.272702517171E+00 1.272702519809E+00 1.272702522533E+00 1.272702525345E+00 | ||
3286 | 1649 | 1.272702528248E+00 1.272702531246E+00 1.272702534339E+00 1.272702537531E+00 | ||
3287 | 1650 | 1.272702540825E+00 1.272702544223E+00 1.272702547729E+00 1.272702551345E+00 | ||
3288 | 1651 | 1.272702555075E+00 1.272702558921E+00 1.272702562888E+00 1.272702566977E+00 | ||
3289 | 1652 | 1.272702571193E+00 1.272702575539E+00 1.272702580019E+00 1.272702584636E+00 | ||
3290 | 1653 | 1.272702589394E+00 1.272702594297E+00 1.272702599349E+00 1.272702604554E+00 | ||
3291 | 1654 | 1.272702609917E+00 1.272702615441E+00 1.272702621131E+00 1.272702626991E+00 | ||
3292 | 1655 | 1.272702633027E+00 1.272702639243E+00 1.272702645643E+00 1.272702652233E+00 | ||
3293 | 1656 | 1.272702659018E+00 1.272702666004E+00 1.272702673195E+00 1.272702680598E+00 | ||
3294 | 1657 | 1.272702688217E+00 1.272702696060E+00 1.272702704131E+00 1.272702712437E+00 | ||
3295 | 1658 | 1.272702720985E+00 1.272702729781E+00 1.272702738831E+00 1.272702748143E+00 | ||
3296 | 1659 | 1.272702757723E+00 1.272702767579E+00 1.272702777717E+00 1.272702788147E+00 | ||
3297 | 1660 | 1.272702798875E+00 1.272702809909E+00 1.272702821258E+00 1.272702832930E+00 | ||
3298 | 1661 | 1.272702844934E+00 1.272702857278E+00 1.272702869971E+00 1.272702883024E+00 | ||
3299 | 1662 | 1.272702896445E+00 1.272702910244E+00 1.272702924432E+00 1.272702939018E+00 | ||
3300 | 1663 | 1.272702954013E+00 1.272702969429E+00 1.272702985275E+00 1.272703001565E+00 | ||
3301 | 1664 | 1.272703018308E+00 1.272703035519E+00 1.272703053208E+00 1.272703071388E+00 | ||
3302 | 1665 | 1.272703090073E+00 1.272703109275E+00 1.272703129009E+00 1.272703149288E+00 | ||
3303 | 1666 | 1.272703170128E+00 1.272703191541E+00 1.272703213545E+00 1.272703236153E+00 | ||
3304 | 1667 | 1.272703259383E+00 1.272703283251E+00 1.272703307772E+00 1.272703332965E+00 | ||
3305 | 1668 | 1.272703358847E+00 1.272703385437E+00 1.272703412752E+00 1.272703440811E+00 | ||
3306 | 1669 | 1.272703469635E+00 1.272703499244E+00 1.272703529657E+00 1.272703560896E+00 | ||
3307 | 1670 | 1.272703592983E+00 1.272703625939E+00 1.272703659788E+00 1.272703694553E+00 | ||
3308 | 1671 | 1.272703730257E+00 1.272703766926E+00 1.272703804584E+00 1.272703843257E+00 | ||
3309 | 1672 | 1.272703882972E+00 1.272703923756E+00 1.272703965637E+00 1.272704008642E+00 | ||
3310 | 1673 | 1.272704052803E+00 1.272704098148E+00 1.272704144708E+00 1.272704192516E+00 | ||
3311 | 1674 | 1.272704241603E+00 1.272704292003E+00 1.272704343750E+00 1.272704396879E+00 | ||
3312 | 1675 | 1.272704451426E+00 1.272704507427E+00 1.272704564921E+00 1.272704623945E+00 | ||
3313 | 1676 | 1.272704684541E+00 1.272704746748E+00 1.272704810608E+00 1.272704876164E+00 | ||
3314 | 1677 | 1.272704943461E+00 1.272705012542E+00 1.272705083455E+00 1.272705156247E+00 | ||
3315 | 1678 | 1.272705230966E+00 1.272705307662E+00 1.272705386386E+00 1.272705467191E+00 | ||
3316 | 1679 | 1.272705550131E+00 1.272705635261E+00 1.272705722637E+00 1.272705812317E+00 | ||
3317 | 1680 | 1.272705904361E+00 1.272705998829E+00 1.272706095785E+00 1.272706195293E+00 | ||
3318 | 1681 | 1.272706297418E+00 1.272706402228E+00 1.272706509792E+00 1.272706620181E+00 | ||
3319 | 1682 | 1.272706733467E+00 1.272706849727E+00 1.272706969035E+00 1.272707091471E+00 | ||
3320 | 1683 | 1.272707217115E+00 1.272707346050E+00 1.272707478361E+00 1.272707614133E+00 | ||
3321 | 1684 | 1.272707753457E+00 1.272707896424E+00 1.272708043127E+00 1.272708193662E+00 | ||
3322 | 1685 | 1.272708348128E+00 1.272708506627E+00 1.272708669260E+00 1.272708836136E+00 | ||
3323 | 1686 | 1.272709007362E+00 1.272709183051E+00 1.272709363316E+00 1.272709548277E+00 | ||
3324 | 1687 | 1.272709738052E+00 1.272709932766E+00 1.272710132545E+00 1.272710337519E+00 | ||
3325 | 1688 | 1.272710547822E+00 1.272710763590E+00 1.272710984963E+00 1.272711212085E+00 | ||
3326 | 1689 | 1.272711445104E+00 1.272711684170E+00 1.272711929438E+00 1.272712181067E+00 | ||
3327 | 1690 | 1.272712439221E+00 1.272712704066E+00 1.272712975774E+00 1.272713254520E+00 | ||
3328 | 1691 | 1.272713540485E+00 1.272713833854E+00 1.272714134815E+00 1.272714443563E+00 | ||
3329 | 1692 | 1.272714760298E+00 1.272715085224E+00 1.272715418550E+00 1.272715760491E+00 | ||
3330 | 1693 | 1.272716111267E+00 1.272716471105E+00 1.272716840236E+00 1.272717218898E+00 | ||
3331 | 1694 | 1.272717607334E+00 1.272718005794E+00 1.272718414534E+00 1.272718833817E+00 | ||
3332 | 1695 | 1.272719263913E+00 1.272719705097E+00 1.272720157652E+00 1.272720621870E+00 | ||
3333 | 1696 | 1.272721098047E+00 1.272721586490E+00 1.272722087512E+00 1.272722601433E+00 | ||
3334 | 1697 | 1.272723128583E+00 1.272723669300E+00 1.272724223929E+00 1.272724792826E+00 | ||
3335 | 1698 | 1.272725376355E+00 1.272725974889E+00 1.272726588812E+00 1.272727218514E+00 | ||
3336 | 1699 | 1.272727864400E+00 1.272728526881E+00 1.272729206382E+00 1.272729903335E+00 | ||
3337 | 1700 | 1.272730618186E+00 1.272731351391E+00 1.272732103419E+00 1.272732874748E+00 | ||
3338 | 1701 | 1.272733665871E+00 1.272734477292E+00 1.272735309529E+00 1.272736163112E+00 | ||
3339 | 1702 | 1.272737038584E+00 1.272737936505E+00 1.272738857444E+00 1.272739801989E+00 | ||
3340 | 1703 | 1.272740770742E+00 1.272741764317E+00 1.272742783349E+00 1.272743828485E+00 | ||
3341 | 1704 | 1.272744900389E+00 1.272745999744E+00 1.272747127248E+00 1.272748283617E+00 | ||
3342 | 1705 | 1.272749469587E+00 1.272750685912E+00 1.272751933363E+00 1.272753212733E+00 | ||
3343 | 1706 | 1.272754524834E+00 1.272755870500E+00 1.272757250584E+00 1.272758665962E+00 | ||
3344 | 1707 | 1.272760117532E+00 1.272761606215E+00 1.272763132955E+00 1.272764698720E+00 | ||
3345 | 1708 | 1.272766304502E+00 1.272767951321E+00 1.272769640219E+00 1.272771372266E+00 | ||
3346 | 1709 | 1.272773148561E+00 1.272774970227E+00 1.272776838419E+00 1.272778754321E+00 | ||
3347 | 1710 | 1.272780719144E+00 1.272782734133E+00 1.272784800562E+00 1.272786919741E+00 | ||
3348 | 1711 | 1.272789093009E+00 1.272791321742E+00 1.272793607350E+00 1.272795951277E+00 | ||
3349 | 1712 | 1.272798355006E+00 1.272800820058E+00 1.272803347989E+00 1.272805940399E+00 | ||
3350 | 1713 | 1.272808598926E+00 1.272811325249E+00 1.272814121091E+00 1.272816988219E+00 | ||
3351 | 1714 | 1.272819928444E+00 1.272822943622E+00 1.272826035659E+00 1.272829206505E+00 | ||
3352 | 1715 | 1.272832458163E+00 1.272835792686E+00 1.272839212179E+00 1.272842718799E+00 | ||
3353 | 1716 | 1.272846314760E+00 1.272850002330E+00 1.272853783836E+00 1.272857661663E+00 | ||
3354 | 1717 | 1.272861638258E+00 1.272865716128E+00 1.272869897844E+00 1.272874186044E+00 | ||
3355 | 1718 | 1.272878583432E+00 1.272883092779E+00 1.272887716927E+00 1.272892458792E+00 | ||
3356 | 1719 | 1.272897321361E+00 1.272902307699E+00 1.272907420948E+00 1.272912664329E+00 | ||
3357 | 1720 | 1.272918041144E+00 1.272923554782E+00 1.272929208714E+00 1.272935006501E+00 | ||
3358 | 1721 | 1.272940951795E+00 1.272947048338E+00 1.272953299970E+00 1.272959710624E+00 | ||
3359 | 1722 | 1.272966284338E+00 1.272973025248E+00 1.272979937598E+00 1.272987025736E+00 | ||
3360 | 1723 | 1.272994294123E+00 1.273001747333E+00 1.273009390054E+00 1.273017227094E+00 | ||
3361 | 1724 | 1.273025263383E+00 1.273033503976E+00 1.273041954054E+00 1.273050618932E+00 | ||
3362 | 1725 | 1.273059504059E+00 1.273068615020E+00 1.273077957545E+00 1.273087537504E+00 | ||
3363 | 1726 | 1.273097360922E+00 1.273107433970E+00 1.273117762982E+00 1.273128354446E+00 | ||
3364 | 1727 | 1.273139215018E+00 1.273150351522E+00 1.273161770955E+00 1.273173480489E+00 | ||
3365 | 1728 | 1.273185487479E+00 1.273197799468E+00 1.273210424186E+00 1.273223369561E+00 | ||
3366 | 1729 | 1.273236643722E+00 1.273250255002E+00 1.273264211946E+00 1.273278523314E+00 | ||
3367 | 1730 | 1.273293198088E+00 1.273308245478E+00 1.273323674926E+00 1.273339496111E+00 | ||
3368 | 1731 | 1.273355718961E+00 1.273372353650E+00 1.273389410613E+00 1.273406900545E+00 | ||
3369 | 1732 | 1.273424834413E+00 1.273443223462E+00 1.273462079219E+00 1.273481413501E+00 | ||
3370 | 1733 | 1.273501238427E+00 1.273521566418E+00 1.273542410210E+00 1.273563782858E+00 | ||
3371 | 1734 | 1.273585697750E+00 1.273608168608E+00 1.273631209500E+00 1.273654834850E+00 | ||
3372 | 1735 | 1.273679059442E+00 1.273703898436E+00 1.273729367369E+00 1.273755482172E+00 | ||
3373 | 1736 | 1.273782259174E+00 1.273809715116E+00 1.273837867157E+00 1.273866732889E+00 | ||
3374 | 1737 | 1.273896330343E+00 1.273926678004E+00 1.273957794817E+00 1.273989700205E+00 | ||
3375 | 1738 | 1.274022414073E+00 1.274055956826E+00 1.274090349379E+00 1.274125613166E+00 | ||
3376 | 1739 | 1.274161770159E+00 1.274198842875E+00 1.274236854393E+00 1.274275828364E+00 | ||
3377 | 1740 | 1.274315789028E+00 1.274356761227E+00 1.274398770417E+00 1.274441842685E+00 | ||
3378 | 1741 | 1.274486004763E+00 1.274531284044E+00 1.274577708593E+00 1.274625307170E+00 | ||
3379 | 1742 | 1.274674109240E+00 1.274724144990E+00 1.274775445349E+00 1.274828042000E+00 | ||
3380 | 1743 | 1.274881967401E+00 1.274937254797E+00 1.274993938246E+00 1.275052052628E+00 | ||
3381 | 1744 | 1.275111633667E+00 1.275172717949E+00 1.275235342942E+00 1.275299547010E+00 | ||
3382 | 1745 | 1.275365369436E+00 1.275432850440E+00 1.275502031196E+00 1.275572953856E+00 | ||
3383 | 1746 | 1.275645661562E+00 1.275720198473E+00 1.275796609780E+00 1.275874941725E+00 | ||
3384 | 1747 | 1.275955241625E+00 1.276037557885E+00 1.276121940022E+00 1.276208438684E+00 | ||
3385 | 1748 | 1.276297105665E+00 1.276387993927E+00 1.276481157618E+00 1.276576652089E+00 | ||
3386 | 1749 | 1.276674533909E+00 1.276774860889E+00 1.276877692089E+00 1.276983087840E+00 | ||
3387 | 1750 | 1.277091109757E+00 1.277201820750E+00 1.277315285039E+00 1.277431568166E+00 | ||
3388 | 1751 | 1.277550737002E+00 1.277672859757E+00 1.277798005985E+00 1.277926246592E+00 | ||
3389 | 1752 | 1.278057653834E+00 1.278192301322E+00 1.278330264014E+00 1.278471618215E+00 | ||
3390 | 1753 | 1.278616441566E+00 1.278764813034E+00 1.278916812892E+00 1.279072522706E+00 | ||
3391 | 1754 | 1.279232025307E+00 1.279395404762E+00 1.279562746341E+00 1.279734136478E+00 | ||
3392 | 1755 | 1.279909662724E+00 1.280089413693E+00 1.280273479002E+00 1.280461949207E+00 | ||
3393 | 1756 | 1.280654915719E+00 1.280852470722E+00 1.281054707077E+00 1.281261718214E+00 | ||
3394 | 1757 | 1.281473598009E+00 1.281690440659E+00 1.281912340530E+00 1.282139391998E+00 | ||
3395 | 1758 | 1.282371689274E+00 1.282609326206E+00 1.282852396071E+00 1.283100991337E+00 | ||
3396 | 1759 | 1.283355203410E+00 1.283615122359E+00 1.283880836607E+00 1.284152432608E+00 | ||
3397 | 1760 | 1.284429994481E+00 1.284713603627E+00 1.285003338302E+00 1.285299273157E+00 | ||
3398 | 1761 | 1.285601478747E+00 1.285910020984E+00 1.286224960566E+00 1.286546352338E+00 | ||
3399 | 1762 | 1.286874244620E+00 1.287208678471E+00 1.287549686897E+00 1.287897294005E+00 | ||
3400 | 1763 | 1.288251514080E+00 1.288612350603E+00 1.288979795185E+00 1.289353826427E+00 | ||
3401 | 1764 | 1.289734408697E+00 1.290121490812E+00 1.290515004626E+00 1.290914863516E+00 | ||
3402 | 1765 | 1.291320960764E+00 1.291733167814E+00 1.292151332419E+00 1.292575276650E+00 | ||
3403 | 1766 | 1.293004794771E+00 1.293439650971E+00 1.293879576940E+00 1.294324269283E+00 | ||
3404 | 1767 | 1.294773386771E+00 1.295226547398E+00 1.295683325261E+00 1.296143247239E+00 | ||
3405 | 1768 | 1.296605789456E+00 1.297070373536E+00 1.297536362615E+00 1.298003057131E+00 | ||
3406 | 1769 | 1.298469690345E+00 1.298935423619E+00 1.299399341408E+00 1.299860445986E+00 | ||
3407 | 1770 | 1.300317651873E+00 1.300769779962E+00 1.301215551346E+00 1.301653580826E+00 | ||
3408 | 1771 | 1.302082370094E+00 1.302500300590E+00 1.302905626037E+00 1.303296464626E+00 | ||
3409 | 1772 | 1.303670790883E+00 1.304026427195E+00 1.304361035014E+00 1.304672105740E+00 | ||
3410 | 1773 | 1.304956951302E+00 1.305212694443E+00 1.305436258742E+00 1.305624358384E+00 | ||
3411 | 1774 | 1.305773487724E+00 1.305879910677E+00 1.305939649978E+00 1.305948476365E+00 | ||
3412 | 1775 | 1.305901897756E+00 1.305795148485E+00 1.305623178674E+00 1.305380643853E+00 | ||
3413 | 1776 | 1.305061894916E+00 1.304660968547E+00 1.304171578236E+00 1.303587106050E+00 | ||
3414 | 1777 | 1.302900595308E+00 1.302104744354E+00 1.301191901618E+00 1.300154062180E+00 | ||
3415 | 1778 | 1.298982866076E+00 1.297669598592E+00 1.296205192810E+00 1.294580234700E+00 | ||
3416 | 1779 | 1.292784971043E+00 1.290809320510E+00 1.288642888209E+00 1.286274984042E+00 | ||
3417 | 1780 | 1.283694645196E+00 1.280890663117E+00 1.277851615285E+00 1.274565902113E+00 | ||
3418 | 1781 | 1.271021789279E+00 1.267207455738E+00 1.263111047678E+00 1.258720738585E+00 | ||
3419 | 1782 | 1.254024795551E+00 1.249011651884E+00 1.243669985975E+00 1.237988806312E+00 | ||
3420 | 1783 | 1.231957542373E+00 1.225566141030E+00 1.218805167954E+00 1.211665913325E+00 | ||
3421 | 1784 | 1.204140501003E+00 1.196222000129E+00 1.187904537930E+00 1.179183412300E+00 | ||
3422 | 1785 | 1.170055202547E+00 1.160517876471E+00 1.150570891783E+00 1.140215289682E+00 | ||
3423 | 1786 | 1.129453778253E+00 1.118290803235E+00 1.106732603627E+00 1.094787249540E+00 | ||
3424 | 1787 | 1.082464659748E+00 1.069776596438E+00 1.056736634844E+00 1.043360105664E+00 | ||
3425 | 1788 | 1.029664008498E+00 1.015666894958E+00 1.001388720684E+00 9.868506661052E-01 | ||
3426 | 1789 | 9.720749266375E-01 9.570844739359E-01 9.419027909436E-01 9.265535848034E-01 | ||
3427 | 1790 | 9.110604832355E-01 8.954467217945E-01 8.797348315433E-01 8.639463391771E-01 | ||
3428 | 1791 | 8.481014945794E-01 8.322190442616E-01 8.163160732419E-01 8.004079427293E-01 | ||
3429 | 1792 | 7.845083566231E-01 7.686295964396E-01 7.527829532428E-01 7.369792434175E-01 | ||
3430 | 1793 | 7.212290396111E-01 7.055425744809E-01 6.899297943705E-01 6.744003472644E-01 | ||
3431 | 1794 | 6.589635715731E-01 6.436284948850E-01 6.284038292978E-01 6.132979683713E-01 | ||
3432 | 1795 | 5.983189844753E-01 5.834746266554E-01 5.687723190104E-01 5.542191595725E-01 | ||
3433 | 1796 | 5.398219196801E-01 5.255870438336E-01 5.115206500215E-01 4.976285305045E-01 | ||
3434 | 1797 | 4.839161530513E-01 4.703886625987E-01 4.570508833336E-01 4.439073211782E-01 | ||
3435 | 1798 | 4.309621666628E-01 4.182192981708E-01 4.056822855406E-01 3.933543940077E-01 | ||
3436 | 1799 | 3.812385884708E-01 3.693375380655E-01 3.576536210288E-01 3.461889298389E-01 | ||
3437 | 1800 | 3.349452766119E-01 3.239241987416E-01 3.131269647629E-01 3.025545804264E-01 | ||
3438 | 1801 | 2.922077949650E-01 2.820871075390E-01 2.721927738436E-01 2.625248128635E-01 | ||
3439 | 1802 | 2.530830137605E-01 2.438669428790E-01 2.348759508562E-01 2.261091798224E-01 | ||
3440 | 1803 | 2.175655706789E-01 2.092438704404E-01 2.011426396286E-01 1.932602597065E-01 | ||
3441 | 1804 | 1.855949405406E-01 1.781447278791E-01 1.709075108368E-01 1.638810293753E-01 | ||
3442 | 1805 | 1.570628817677E-01 1.504505320392E-01 1.440413173735E-01 1.378324554757E-01 | ||
3443 | 1806 | 1.318210518837E-01 1.260041072189E-01 1.203785243689E-01 1.149411155931E-01 | ||
3444 | 1807 | 1.096886095453E-01 1.046176582050E-01 9.972484371085E-02 9.500668508930E-02 | ||
3445 | 1808 | 9.045964487245E-02 8.608013559864E-02 8.186452618992E-02 7.780914820079E-02 | ||
3446 | 1809 | 7.391030193272E-02 7.016426240923E-02 6.656728520672E-02 6.311561213603E-02 | ||
3447 | 1810 | 5.980547677052E-02 5.663310981618E-02 5.359474431995E-02 5.068662071214E-02 | ||
3448 | 1811 | 4.790499167982E-02 4.524612686750E-02 4.270631740227E-02 4.028188024057E-02 | ||
3449 | 1812 | 3.796916233408E-02 3.576454461245E-02 3.366444578101E-02 3.166532593165E-02 | ||
3450 | 1813 | 2.976368996575E-02 2.795609082775E-02 2.623913254902E-02 2.460947310129E-02 | ||
3451 | 1814 | 2.306382705965E-02 2.159896807543E-02 2.021173115941E-02 1.889901477629E-02 | ||
3452 | 1815 | 1.765778275178E-02 1.648506599372E-02 1.537796402932E-02 1.433364636073E-02 | ||
3453 | 1816 | 1.334935364153E-02 1.242239867718E-02 1.155016725260E-02 1.073011879062E-02 | ||
3454 | 1817 | 9.959786845063E-03 9.236779432842E-03 8.558779209484E-03 7.923543492927E-03 | ||
3455 | 1818 | 7.328904140659E-03 6.772767285505E-03 6.253112935629E-03 5.767994444518E-03 | ||
3456 | 1819 | 5.315537856916E-03 4.893941136857E-03 4.501473284102E-03 4.136473345407E-03 | ||
3457 | 1820 | 3.797349327186E-03 3.482577016188E-03 3.190698714908E-03 2.920321898451E-03 | ||
3458 | 1821 | 2.670117799642E-03 2.438819929096E-03 2.225222536998E-03 2.028179023253E-03 | ||
3459 | 1822 | 1.846600302586E-03 1.679453131098E-03 1.525758400633E-03 1.384589407194E-03 | ||
3460 | 1823 | 1.255070099462E-03 1.136373313311E-03 1.027718997998E-03 9.283724394995E-04 | ||
3461 | 1824 | 8.376424862359E-04 7.548797821841E-04 6.794750121168E-04 6.108571634502E-04 | ||
3462 | 1825 | 5.484918089029E-04 4.918794138887E-04 4.405536722827E-04 3.940798739054E-04 | ||
3463 | 1826 | 3.520533067812E-04 3.140976969334E-04 2.798636881865E-04 2.490273641573E-04 | ||
3464 | 1827 | 2.212888143313E-04 1.963707458424E-04 1.740171422983E-04 1.539919707329E-04 | ||
3465 | 1828 | 1.360779375059E-04 1.200752937293E-04 1.058006905616E-04 9.308608448835E-05 | ||
3466 | 1829 | 8.177769249807E-05 7.173499686357E-05 6.282979905466E-05 5.494532213855E-05 | ||
3467 | 1830 | 4.797536086729E-05 4.182347850988E-05 3.640224935880E-05 3.163254572679E-05 | ||
3468 | 1831 | 2.744286815043E-05 2.376871743065E-05 2.055200706775E-05 1.774051458899E-05 | ||
3469 | 1832 | 1.528737021914E-05 1.315058130926E-05 1.129259091459E-05 9.679868898933E-06 | ||
3470 | 1833 | 8.282533939407E-06 7.074004810686E-06 6.030679342193E-06 5.131639463230E-06 | ||
3471 | 1834 | 4.358380779799E-06 3.694565161756E-06 3.125794859270E-06 2.639406712656E-06 | ||
3472 | 1835 | 2.224285068764E-06 1.870692069498E-06 1.570114033224E-06 1.315122706922E-06 | ||
3473 | 1836 | 1.099250225645E-06 9.168766753880E-07 7.631292154575E-07 6.337917763961E-07 | ||
3474 | 1837 | 5.252244089778E-07 4.342914184349E-07 3.582974755318E-07 2.949309520902E-07 | ||
3475 | 1838 | 2.422137828356E-07 1.984572077665E-07 1.622227994773E-07 1.322882278480E-07 | ||
3476 | 1839 | 1.076172601543E-07 8.733353786923E-08 7.069771218962E-08 5.708755860402E-08 | ||
3477 | 1840 | 4.598072663237E-08 3.693981424237E-08 2.959948742812E-08 2.365539408709E-08 | ||
3478 | 1841 | 1.885464772823E-08 1.498768077461E-08 1.188128938507E-08 9.392711914114E-09 | ||
3479 | 1842 | 7.404601465639E-09 5.820769586156E-09 4.562593098434E-09 3.565989511363E-09 | ||
3480 | 1843 | 2.778878466822E-09 2.159057409905E-09 1.672429200927E-09 1.291527829186E-09 | ||
3481 | 1844 | 9.942958373622E-10 7.630736150669E-10 5.837664582794E-10 4.451603006436E-10 | ||
3482 | 1845 | 3.383613796812E-10 2.563388770294E-10 1.935528323773E-10 1.456524358915E-10 | ||
3483 | 1846 | 1.092322082958E-10 8.163563098827E-11 6.079753537343E-11 4.511804108488E-11 | ||
3484 | 1847 | 3.336208280701E-11 2.457961681372E-11 1.804247927688E-11 1.319460362850E-11 | ||
3485 | 1848 | 9.612915482629E-12 6.976729741845E-12 5.043891931526E-12 3.632248681429E-12 | ||
3486 | 1849 | 2.605312776962E-12 1.861216737082E-12 1.324234299643E-12 9.382990119088E-13 | ||
3487 | 1850 | 6.620696606127E-13 4.651888417354E-13 3.254579989716E-13 2.267134373299E-13 | ||
3488 | 1851 | 1.572361928716E-13 1.085667208576E-13 7.462520831816E-14 5.106159919215E-14 | ||
3489 | 1852 | 3.477750018478E-14 2.357611072615E-14 1.590707225774E-14 1.068136487643E-14 | ||
3490 | 1853 | 7.137653172097E-15 4.746240935278E-15 3.140384962713E-15 2.067414442626E-15 | ||
3491 | 1854 | 1.354116984633E-15 8.823500066738E-16 5.719438586856E-16 3.687780657509E-16 | ||
3492 | 1855 | 2.365086052185E-16 1.508584489906E-16 9.569812458886E-17 6.036958717977E-17 | ||
3493 | 1856 | 3.786896949346E-17 2.361937461217E-17 1.464676319444E-17 9.029664610359E-18 | ||
3494 | 1857 | 5.533835001076E-18 3.371110161100E-18 2.041168927898E-18 1.228318272749E-18 | ||
3495 | 1858 | 7.345732478687E-19 4.365332984188E-19 2.577645134165E-19 1.512228182568E-19 | ||
3496 | 1859 | 8.813826531255E-20 5.103036934029E-20 2.934766677486E-20 1.676340553893E-20 | ||
3497 | 1860 | 9.509494009042E-21 5.356995205249E-21 2.996508551310E-21 1.664184364790E-21 | ||
3498 | 1861 | 9.175711482801E-22 5.022161806587E-22 2.728437626738E-22 1.471190671017E-22 | ||
3499 | 1862 | 7.872527829709E-23 4.180304701286E-23 2.202458908510E-23 1.151253449807E-23 | ||
3500 | 1863 | 5.969719103701E-24 3.070525347138E-24 1.566400360534E-24 7.924631091121E-25 | ||
3501 | 1864 | 3.975537455246E-25 1.977456357587E-25 9.751364498988E-26 4.766766411119E-26 | ||
3502 | 1865 | 2.309586980741E-26 1.109042320241E-26 5.277351485582E-27 2.488216538711E-27 | ||
3503 | 1866 | 1.162288920154E-27 5.378271103877E-28 2.465029992206E-28 1.118923173394E-28 | ||
3504 | 1867 | 5.029488764973E-29 2.238407989340E-29 9.862616406937E-30 4.301575226336E-30 | ||
3505 | 1868 | 1.856905119500E-30 7.932724427427E-31 3.353269488269E-31 1.402394729916E-31 | ||
3506 | 1869 | 5.801888921012E-32 2.374142499260E-32 9.607770076942E-33 3.844646203348E-33 | ||
3507 | 1870 | 1.521062053318E-33 5.948841000787E-34 2.299588185262E-34 8.784898428646E-35 | ||
3508 | 1871 | 3.316105732686E-35 1.236688188165E-35 4.555822895744E-36 1.657608926313E-36 | ||
3509 | 1872 | 5.955785957705E-37 2.112857829096E-37 7.399585266513E-38 2.557887330249E-38 | ||
3510 | 1873 | 8.726150265833E-39 2.937384705612E-39 9.754943662805E-40 3.195528826103E-40 | ||
3511 | 1874 | 1.032386495857E-40 3.288897843350E-41 1.032982999858E-41 3.198131070602E-42 | ||
3512 | 1875 | 9.758533677183E-43 2.934150509325E-43 8.691873490821E-44 2.536300185952E-44 | ||
3513 | 1876 | 7.288977726262E-45 2.062686319418E-45 5.746741541296E-46 1.575987690066E-46 | ||
3514 | 1877 | 4.253504427524E-47 1.129597155050E-47 2.951223822845E-48 7.584052198746E-49 | ||
3515 | 1878 | 1.916634860681E-49 4.762491589726E-50 1.163330959116E-50 2.792953126330E-51 | ||
3516 | 1879 | 6.589189780615E-52 1.527301470321E-52 3.477426620871E-53 7.775841812259E-54 | ||
3517 | 1880 | 1.707295220222E-54 3.680077018629E-55 7.785873795651E-56 1.616497155741E-56 | ||
3518 | 1881 | 3.292868644518E-57 6.579918934676E-58 1.289519008068E-58 2.478055408045E-59 | ||
3519 | 1882 | 4.668571682891E-60 8.621107135689E-61 1.560124764811E-61 2.766267084054E-62 | ||
3520 | 1883 | 4.804733607965E-63 8.173819374753E-64 1.361527716356E-64 2.220707894890E-65 | ||
3521 | 1884 | 3.544704468140E-66 5.531517932154E-67 8.278560025611E-68 1.209922996951E-68 | ||
3522 | 1885 | 1.726328576594E-69 2.403923831591E-70 | ||
3523 | 1886 | </data> | ||
3524 | 1887 | </radfunc> | ||
3525 | 1888 | </pswf> | ||
3526 | 1889 | <pswf n="2" l="p"> | ||
3527 | 1890 | <radfunc> | ||
3528 | 1891 | <data> | ||
3529 | 1892 | 4.919411503591E-15 2.164501822129E-05 4.356229725040E-05 6.575526170141E-05 | ||
3530 | 1893 | 8.822737926445E-05 1.109821613541E-04 1.340231633191E-04 1.573539853673E-04 | ||
3531 | 1894 | 1.809782729816E-04 2.048997175008E-04 2.291220566914E-04 2.536490753350E-04 | ||
3532 | 1895 | 2.784846058188E-04 3.036325287351E-04 3.290967734872E-04 3.548813189036E-04 | ||
3533 | 1896 | 3.809901938598E-04 4.074274779076E-04 4.341973019127E-04 4.613038486999E-04 | ||
3534 | 1897 | 4.887513537069E-04 5.165441056457E-04 5.446864471731E-04 5.731827755691E-04 | ||
3535 | 1898 | 6.020375434235E-04 6.312552593323E-04 6.608404886015E-04 6.907978539608E-04 | ||
3536 | 1899 | 7.211320362857E-04 7.518477753287E-04 7.829498704603E-04 8.144431814180E-04 | ||
3537 | 1900 | 8.463326290668E-04 8.786231961668E-04 9.113199281524E-04 9.444279339206E-04 | ||
3538 | 1901 | 9.779523866290E-04 1.011898524504E-03 1.046271651659E-03 1.081077138924E-03 | ||
3539 | 1902 | 1.116320424683E-03 1.152007015727E-03 1.188142488109E-03 1.224732488021E-03 | ||
3540 | 1903 | 1.261782732671E-03 1.299299011182E-03 1.337287185490E-03 1.375753191264E-03 | ||
3541 | 1904 | 1.414703038831E-03 1.454142814120E-03 1.494078679604E-03 1.534516875272E-03 | ||
3542 | 1905 | 1.575463719597E-03 1.616925610527E-03 1.658909026484E-03 1.701420527374E-03 | ||
3543 | 1906 | 1.744466755613E-03 1.788054437168E-03 1.832190382601E-03 1.876881488140E-03 | ||
3544 | 1907 | 1.922134736750E-03 1.967957199230E-03 2.014356035313E-03 2.061338494785E-03 | ||
3545 | 1908 | 2.108911918622E-03 2.157083740130E-03 2.205861486113E-03 2.255252778042E-03 | ||
3546 | 1909 | 2.305265333253E-03 2.355906966145E-03 2.407185589407E-03 2.459109215251E-03 | ||
3547 | 1910 | 2.511685956664E-03 2.564924028674E-03 2.618831749637E-03 2.673417542533E-03 | ||
3548 | 1911 | 2.728689936284E-03 2.784657567083E-03 2.841329179747E-03 2.898713629081E-03 | ||
3549 | 1912 | 2.956819881261E-03 3.015657015235E-03 3.075234224140E-03 3.135560816742E-03 | ||
3550 | 1913 | 3.196646218883E-03 3.258499974960E-03 3.321131749412E-03 3.384551328231E-03 | ||
3551 | 1914 | 3.448768620490E-03 3.513793659890E-03 3.579636606330E-03 3.646307747490E-03 | ||
3552 | 1915 | 3.713817500439E-03 3.782176413265E-03 3.851395166717E-03 3.921484575879E-03 | ||
3553 | 1916 | 3.992455591853E-03 4.064319303476E-03 4.137086939045E-03 4.210769868075E-03 | ||
3554 | 1917 | 4.285379603075E-03 4.360927801341E-03 4.437426266783E-03 4.514886951762E-03 | ||
3555 | 1918 | 4.593321958961E-03 4.672743543274E-03 4.753164113718E-03 4.834596235372E-03 | ||
3556 | 1919 | 4.917052631339E-03 5.000546184733E-03 5.085089940690E-03 5.170697108404E-03 | ||
3557 | 1920 | 5.257381063191E-03 5.345155348578E-03 5.434033678415E-03 5.524029939018E-03 | ||
3558 | 1921 | 5.615158191337E-03 5.707432673151E-03 5.800867801290E-03 5.895478173887E-03 | ||
3559 | 1922 | 5.991278572655E-03 6.088283965199E-03 6.186509507345E-03 6.285970545514E-03 | ||
3560 | 1923 | 6.386682619111E-03 6.488661462957E-03 6.591923009736E-03 6.696483392493E-03 | ||
3561 | 1924 | 6.802358947143E-03 6.909566215024E-03 7.018121945480E-03 7.128043098473E-03 | ||
3562 | 1925 | 7.239346847229E-03 7.352050580922E-03 7.466171907383E-03 7.581728655850E-03 | ||
3563 | 1926 | 7.698738879751E-03 7.817220859518E-03 7.937193105443E-03 8.058674360562E-03 | ||
3564 | 1927 | 8.181683603581E-03 8.306240051841E-03 8.432363164308E-03 8.560072644614E-03 | ||
3565 | 1928 | 8.689388444132E-03 8.820330765081E-03 8.952920063685E-03 9.087177053361E-03 | ||
3566 | 1929 | 9.223122707945E-03 9.360778264970E-03 9.500165228974E-03 9.641305374854E-03 | ||
3567 | 1930 | 9.784220751263E-03 9.928933684044E-03 1.007546677972E-02 1.022384292900E-02 | ||
3568 | 1931 | 1.037408531037E-02 1.052621739369E-02 1.068026294387E-02 1.083624602455E-02 | ||
3569 | 1932 | 1.099419100187E-02 1.115412254826E-02 1.131606564628E-02 1.148004559253E-02 | ||
3570 | 1933 | 1.164608800156E-02 1.181421880991E-02 1.198446428011E-02 1.215685100477E-02 | ||
3571 | 1934 | 1.233140591076E-02 1.250815626335E-02 1.268712967052E-02 1.286835408721E-02 | ||
3572 | 1935 | 1.305185781968E-02 1.323766952994E-02 1.342581824020E-02 1.361633333737E-02 | ||
3573 | 1936 | 1.380924457767E-02 1.400458209125E-02 1.420237638684E-02 1.440265835656E-02 | ||
3574 | 1937 | 1.460545928068E-02 1.481081083252E-02 1.501874508335E-02 1.522929450738E-02 | ||
3575 | 1938 | 1.544249198684E-02 1.565837081706E-02 1.587696471166E-02 1.609830780781E-02 | ||
3576 | 1939 | 1.632243467150E-02 1.654938030294E-02 1.677918014199E-02 1.701187007366E-02 | ||
3577 | 1940 | 1.724748643372E-02 1.748606601428E-02 1.772764606958E-02 1.797226432170E-02 | ||
3578 | 1941 | 1.821995896650E-02 1.847076867946E-02 1.872473262176E-02 1.898189044632E-02 | ||
3579 | 1942 | 1.924228230394E-02 1.950594884957E-02 1.977293124860E-02 2.004327118320E-02 | ||
3580 | 1943 | 2.031701085886E-02 2.059419301087E-02 2.087486091098E-02 2.115905837409E-02 | ||
3581 | 1944 | 2.144682976504E-02 2.173822000547E-02 2.203327458080E-02 2.233203954727E-02 | ||
3582 | 1945 | 2.263456153903E-02 2.294088777542E-02 2.325106606821E-02 2.356514482905E-02 | ||
3583 | 1946 | 2.388317307690E-02 2.420520044568E-02 2.453127719186E-02 2.486145420229E-02 | ||
3584 | 1947 | 2.519578300201E-02 2.553431576225E-02 2.587710530845E-02 2.622420512843E-02 | ||
3585 | 1948 | 2.657566938063E-02 2.693155290246E-02 2.729191121877E-02 2.765680055039E-02 | ||
3586 | 1949 | 2.802627782279E-02 2.840040067488E-02 2.877922746783E-02 2.916281729407E-02 | ||
3587 | 1950 | 2.955122998641E-02 2.994452612720E-02 3.034276705765E-02 3.074601488727E-02 | ||
3588 | 1951 | 3.115433250338E-02 3.156778358080E-02 3.198643259158E-02 3.241034481490E-02 | ||
3589 | 1952 | 3.283958634709E-02 3.327422411174E-02 3.371432586994E-02 3.415996023066E-02 | ||
3590 | 1953 | 3.461119666126E-02 3.506810549807E-02 3.553075795719E-02 3.599922614529E-02 | ||
3591 | 1954 | 3.647358307068E-02 3.695390265442E-02 3.744025974159E-02 3.793273011267E-02 | ||
3592 | 1955 | 3.843139049509E-02 3.893631857492E-02 3.944759300865E-02 3.996529343513E-02 | ||
3593 | 1956 | 4.048950048770E-02 4.102029580637E-02 4.155776205024E-02 4.210198290997E-02 | ||
3594 | 1957 | 4.265304312049E-02 4.321102847375E-02 4.377602583175E-02 4.434812313960E-02 | ||
3595 | 1958 | 4.492740943879E-02 4.551397488061E-02 4.610791073972E-02 4.670930942785E-02 | ||
3596 | 1959 | 4.731826450772E-02 4.793487070703E-02 4.855922393272E-02 4.919142128526E-02 | ||
3597 | 1960 | 4.983156107322E-02 5.047974282794E-02 5.113606731838E-02 5.180063656613E-02 | ||
3598 | 1961 | 5.247355386062E-02 5.315492377446E-02 5.384485217894E-02 5.454344625978E-02 | ||
3599 | 1962 | 5.525081453293E-02 5.596706686070E-02 5.669231446789E-02 5.742666995825E-02 | ||
3600 | 1963 | 5.817024733101E-02 5.892316199769E-02 5.968553079895E-02 6.045747202178E-02 | ||
3601 | 1964 | 6.123910541674E-02 6.203055221549E-02 6.283193514840E-02 6.364337846243E-02 | ||
3602 | 1965 | 6.446500793918E-02 6.529695091306E-02 6.613933628975E-02 6.699229456476E-02 | ||
3603 | 1966 | 6.785595784225E-02 6.873045985398E-02 6.961593597850E-02 7.051252326048E-02 | ||
3604 | 1967 | 7.142036043030E-02 7.233958792375E-02 7.327034790200E-02 7.421278427171E-02 | ||
3605 | 1968 | 7.516704270534E-02 7.613327066171E-02 7.711161740664E-02 7.810223403392E-02 | ||
3606 | 1969 | 7.910527348635E-02 8.012089057703E-02 8.114924201088E-02 8.219048640628E-02 | ||
3607 | 1970 | 8.324478431691E-02 8.431229825386E-02 8.539319270781E-02 8.648763417151E-02 | ||
3608 | 1971 | 8.759579116235E-02 8.871783424523E-02 8.985393605549E-02 9.100427132210E-02 | ||
3609 | 1972 | 9.216901689105E-02 9.334835174883E-02 9.454245704619E-02 9.575151612201E-02 | ||
3610 | 1973 | 9.697571452735E-02 9.821524004972E-02 9.947028273745E-02 1.007410349242E-01 | ||
3611 | 1974 | 1.020276912540E-01 1.033304487055E-01 1.046495066176E-01 1.059850667145E-01 | ||
3612 | 1975 | 1.073373331309E-01 1.087065124375E-01 1.100928136667E-01 1.114964483382E-01 | ||
3613 | 1976 | 1.129176304850E-01 1.143565766794E-01 1.158135060589E-01 1.172886403527E-01 | ||
3614 | 1977 | 1.187822039076E-01 1.202944237148E-01 1.218255294360E-01 1.233757534305E-01 | ||
3615 | 1978 | 1.249453307809E-01 1.265344993208E-01 1.281434996607E-01 1.297725752153E-01 | ||
3616 | 1979 | 1.314219722299E-01 1.330919398073E-01 1.347827299348E-01 1.364945975108E-01 | ||
3617 | 1980 | 1.382278003712E-01 1.399825993170E-01 1.417592581400E-01 1.435580436501E-01 | ||
3618 | 1981 | 1.453792257013E-01 1.472230772185E-01 1.490898742236E-01 1.509798958617E-01 | ||
3619 | 1982 | 1.528934244268E-01 1.548307453882E-01 1.567921474156E-01 1.587779224047E-01 | ||
3620 | 1983 | 1.607883655024E-01 1.628237751313E-01 1.648844530149E-01 1.669707042013E-01 | ||
3621 | 1984 | 1.690828370875E-01 1.712211634426E-01 1.733859984312E-01 1.755776606358E-01 | ||
3622 | 1985 | 1.777964720794E-01 1.800427582468E-01 1.823168481059E-01 1.846190741284E-01 | ||
3623 | 1986 | 1.869497723096E-01 1.893092821877E-01 1.916979468623E-01 1.941161130126E-01 | ||
3624 | 1987 | 1.965641309139E-01 1.990423544544E-01 2.015511411499E-01 2.040908521587E-01 | ||
3625 | 1988 | 2.066618522943E-01 2.092645100386E-01 2.118991975521E-01 2.145662906848E-01 | ||
3626 | 1989 | 2.172661689842E-01 2.199992157033E-01 2.227658178064E-01 2.255663659738E-01 | ||
3627 | 1990 | 2.284012546050E-01 2.312708818198E-01 2.341756494588E-01 2.371159630808E-01 | ||
3628 | 1991 | 2.400922319592E-01 2.431048690764E-01 2.461542911158E-01 2.492409184520E-01 | ||
3629 | 1992 | 2.523651751384E-01 2.555274888929E-01 2.587282910807E-01 2.619680166949E-01 | ||
3630 | 1993 | 2.652471043338E-01 2.685659961766E-01 2.719251379546E-01 2.753249789204E-01 | ||
3631 | 1994 | 2.787659718134E-01 2.822485728223E-01 2.857732415438E-01 2.893404409374E-01 | ||
3632 | 1995 | 2.929506372773E-01 2.966043000989E-01 3.003019021425E-01 3.040439192916E-01 | ||
3633 | 1996 | 3.078308305074E-01 3.116631177584E-01 3.155412659443E-01 3.194657628159E-01 | ||
3634 | 1997 | 3.234370988893E-01 3.274557673536E-01 3.315222639743E-01 3.356370869895E-01 | ||
3635 | 1998 | 3.398007370001E-01 3.440137168538E-01 3.482765315218E-01 3.525896879686E-01 | ||
3636 | 1999 | 3.569536950141E-01 3.613690631890E-01 3.658363045809E-01 3.703559326726E-01 | ||
3637 | 2000 | 3.749284621725E-01 3.795544088345E-01 3.842342892701E-01 3.889686207498E-01 | ||
3638 | 2001 | 3.937579209947E-01 3.986027079579E-01 4.035034995945E-01 4.084608136208E-01 | ||
3639 | 2002 | 4.134751672616E-01 4.185470769852E-01 4.236770582260E-01 4.288656250938E-01 | ||
3640 | 2003 | 4.341132900700E-01 4.394205636889E-01 4.447879542049E-01 4.502159672448E-01 | ||
3641 | 2004 | 4.557051054437E-01 4.612558680655E-01 4.668687506055E-01 4.725442443763E-01 | ||
3642 | 2005 | 4.782828360755E-01 4.840850073346E-01 4.899512342481E-01 4.958819868832E-01 | ||
3643 | 2006 | 5.018777287682E-01 5.079389163597E-01 5.140659984874E-01 5.202594157758E-01 | ||
3644 | 2007 | 5.265196000424E-01 5.328469736710E-01 5.392419489597E-01 5.457049274429E-01 | ||
3645 | 2008 | 5.522362991857E-01 5.588364420506E-01 5.655057209353E-01 5.722444869802E-01 | ||
3646 | 2009 | 5.790530767462E-01 5.859318113591E-01 5.928809956228E-01 5.999009170981E-01 | ||
3647 | 2010 | 6.069918451462E-01 6.141540299376E-01 6.213877014228E-01 6.286930682661E-01 | ||
3648 | 2011 | 6.360703167395E-01 6.435196095770E-01 6.510410847877E-01 6.586348544254E-01 | ||
3649 | 2012 | 6.663010033163E-01 6.740395877404E-01 6.818506340682E-01 6.897341373493E-01 | ||
3650 | 2013 | 6.976900598538E-01 7.057183295636E-01 7.138188386135E-01 7.219914416805E-01 | ||
3651 | 2014 | 7.302359543201E-01 7.385521512490E-01 7.469397645724E-01 7.553984819557E-01 | ||
3652 | 2015 | 7.639279447379E-01 7.725277459882E-01 7.811974285022E-01 7.899364827390E-01 | ||
3653 | 2016 | 7.987443446961E-01 8.076203937243E-01 8.165639502780E-01 8.255742736041E-01 | ||
3654 | 2017 | 8.346505593662E-01 8.437919372050E-01 8.529974682341E-01 8.622661424709E-01 | ||
3655 | 2018 | 8.715968762032E-01 8.809885092905E-01 8.904398024013E-01 8.999494341857E-01 | ||
3656 | 2019 | 9.095159983857E-01 9.191380008815E-01 9.288138566777E-01 9.385418868284E-01 | ||
3657 | 2020 | 9.483203153042E-01 9.581472658025E-01 9.680207585041E-01 9.779387067768E-01 | ||
3658 | 2021 | 9.878989138320E-01 9.978990693344E-01 1.007936745972E+00 1.018009395986E+00 | ||
3659 | 2022 | 1.028114347675E+00 1.038248801862E+00 1.048409828350E+00 1.058594362358E+00 | ||
3660 | 2023 | 1.068799200954E+00 1.079020999481E+00 1.089256268002E+00 1.099501367756E+00 | ||
3661 | 2024 | 1.109752507647E+00 1.120005740774E+00 1.130256961006E+00 1.140501899632E+00 | ||
3662 | 2025 | 1.150736122083E+00 1.160955024751E+00 1.171153831914E+00 1.181327592794E+00 | ||
3663 | 2026 | 1.191471178756E+00 1.201579280677E+00 1.211646406494E+00 1.221666878967E+00 | ||
3664 | 2027 | 1.231634833673E+00 1.241544217251E+00 1.251388785938E+00 1.261162104412E+00 | ||
3665 | 2028 | 1.270857544971E+00 1.280468287094E+00 1.289987317392E+00 1.299407429999E+00 | ||
3666 | 2029 | 1.308721227441E+00 1.317921122001E+00 1.326999337636E+00 1.335947912474E+00 | ||
3667 | 2030 | 1.344758701938E+00 1.353423382524E+00 1.361933456302E+00 1.370280256150E+00 | ||
3668 | 2031 | 1.378454951788E+00 1.386448556645E+00 1.394251935610E+00 1.401855813702E+00 | ||
3669 | 2032 | 1.409250785708E+00 1.416427326836E+00 1.423375804412E+00 1.430086490679E+00 | ||
3670 | 2033 | 1.436549576720E+00 1.442755187552E+00 1.448693398422E+00 1.454354252331E+00 | ||
3671 | 2034 | 1.459727778822E+00 1.464804014040E+00 1.469573022095E+00 1.474024917729E+00 | ||
3672 | 2035 | 1.478149890290E+00 1.481938229019E+00 1.485380349630E+00 1.488466822164E+00 | ||
3673 | 2036 | 1.491188400087E+00 1.493536050590E+00 1.495500986047E+00 1.497074696542E+00 | ||
3674 | 2037 | 1.498248983422E+00 1.499015993751E+00 1.499368255581E+00 1.499298713903E+00 | ||
3675 | 2038 | 1.498800767163E+00 1.497868304152E+00 1.496495741148E+00 1.494678059080E+00 | ||
3676 | 2039 | 1.492410840539E+00 1.489690306406E+00 1.486513351861E+00 1.482877581524E+00 | ||
3677 | 2040 | 1.478781343459E+00 1.474223761765E+00 1.469204767457E+00 1.463725127333E+00 | ||
3678 | 2041 | 1.457786470524E+00 1.451391312387E+00 1.444543075435E+00 1.437246106974E+00 | ||
3679 | 2042 | 1.429505693108E+00 1.421328068810E+00 1.412720423729E+00 1.403690903438E+00 | ||
3680 | 2043 | 1.394248605838E+00 1.384403572437E+00 1.374166774282E+00 1.363550092295E+00 | ||
3681 | 2044 | 1.352566291853E+00 1.341228991452E+00 1.329552625331E+00 1.317552400011E+00 | ||
3682 | 2045 | 1.305244244704E+00 1.292644755629E+00 1.279771134326E+00 1.266641120078E+00 | ||
3683 | 2046 | 1.253272916662E+00 1.239685113663E+00 1.225896602680E+00 1.211926488784E+00 | ||
3684 | 2047 | 1.197793997692E+00 1.183518379139E+00 1.169118807037E+00 1.154614277055E+00 | ||
3685 | 2048 | 1.140023502314E+00 1.125364808000E+00 1.110656025708E+00 1.095914388468E+00 | ||
3686 | 2049 | 1.081156427437E+00 1.066397871341E+00 1.051653549828E+00 1.036937302010E+00 | ||
3687 | 2050 | 1.022261891519E+00 1.007638929557E+00 9.930788074890E-01 9.785906406401E-01 | ||
3688 | 2051 | 9.641822250752E-01 9.498600092093E-01 9.356290821884E-01 9.214931810231E-01 | ||
3689 | 2052 | 9.074547184552E-01 8.935148334838E-01 8.796734663220E-01 8.659294592975E-01 | ||
3690 | 2053 | 8.522806847857E-01 8.387242006608E-01 8.252564328926E-01 8.118733837736E-01 | ||
3691 | 2054 | 7.985708627569E-01 7.853447349665E-01 7.721911800252E-01 7.591069508674E-01 | ||
3692 | 2055 | 7.460896185769E-01 7.331377849180E-01 7.202512390261E-01 7.074310285528E-01 | ||
3693 | 2056 | 6.946794072996E-01 6.819996137831E-01 6.693954573249E-01 6.568708138125E-01 | ||
3694 | 2057 | 6.444293948258E-01 6.320748791084E-01 6.198108061484E-01 6.076406097575E-01 | ||
3695 | 2058 | 5.955676106634E-01 5.835950158045E-01 5.717259174062E-01 5.599632920062E-01 | ||
3696 | 2059 | 5.483099996974E-01 5.367687835585E-01 5.253422692644E-01 5.140329648728E-01 | ||
3697 | 2060 | 5.028432607821E-01 4.917754298551E-01 4.808316277038E-01 4.700138931287E-01 | ||
3698 | 2061 | 4.593241487071E-01 4.487642015227E-01 4.383357440355E-01 4.280403550749E-01 | ||
3699 | 2062 | 4.178795009592E-01 4.078545367303E-01 3.979667074963E-01 3.882171498767E-01 | ||
3700 | 2063 | 3.786068935420E-01 3.691368628409E-01 3.598078785093E-01 3.506206594522E-01 | ||
3701 | 2064 | 3.415758245941E-01 3.326738947897E-01 3.239152947892E-01 3.153003552518E-01 | ||
3702 | 2065 | 3.068293148011E-01 2.985023221171E-01 2.903194380590E-01 2.822806378121E-01 | ||
3703 | 2066 | 2.743858130568E-01 2.666347741505E-01 2.590272523221E-01 2.515629018716E-01 | ||
3704 | 2067 | 2.442413023718E-01 2.370619608687E-01 2.300243140770E-01 2.231277305661E-01 | ||
3705 | 2068 | 2.163715129356E-01 2.097548999761E-01 2.032770688139E-01 1.969371370362E-01 | ||
3706 | 2069 | 1.907341647962E-01 1.846671568959E-01 1.787350648444E-01 1.729367888917E-01 | ||
3707 | 2070 | 1.672711800367E-01 1.617370420078E-01 1.563331332162E-01 1.510581686823E-01 | ||
3708 | 2071 | 1.459108219323E-01 1.408897268684E-01 1.359934796099E-01 1.312206403066E-01 | ||
3709 | 2072 | 1.265697349246E-01 1.220392570048E-01 1.176276693944E-01 1.133334059528E-01 | ||
3710 | 2073 | 1.091548732308E-01 1.050904521259E-01 1.011384995124E-01 9.729734984816E-02 | ||
3711 | 2074 | 9.356531675870E-02 8.994069459839E-02 8.642175999059E-02 8.300677334667E-02 | ||
3712 | 2075 | 7.969398036470E-02 7.648161350852E-02 7.336789346748E-02 7.035103059760E-02 | ||
3713 | 2076 | 6.742922634427E-02 6.460067464708E-02 6.186356332691E-02 5.921607545547E-02 | ||
3714 | 2077 | 5.665639070743E-02 5.418268669520E-02 5.179314028616E-02 4.948592890240E-02 | ||
3715 | 2078 | 4.725923180257E-02 4.511123134552E-02 4.304011423553E-02 4.104407274840E-02 | ||
3716 | 2079 | 3.912130593801E-02 3.727002082264E-02 3.548843355040E-02 3.377477054292E-02 | ||
3717 | 2080 | 3.212726961666E-02 3.054418108066E-02 2.902376881012E-02 2.756431129458E-02 | ||
3718 | 2081 | 2.616410265990E-02 2.482145366278E-02 2.353469265706E-02 2.230216653037E-02 | ||
3719 | 2082 | 2.112224161041E-02 1.999330453948E-02 1.891376311645E-02 1.788204710493E-02 | ||
3720 | 2083 | 1.689660900671E-02 1.595592479948E-02 1.505849463784E-02 1.420284351672E-02 | ||
3721 | 2084 | 1.338752189636E-02 1.261110628807E-02 1.187219979997E-02 1.116943264223E-02 | ||
3722 | 2085 | 1.050146259100E-02 9.866975410807E-03 9.264685234741E-03 8.693334902378E-03 | ||
3723 | 2086 | 8.151696255044E-03 7.638570388395E-03 7.152787862263E-03 6.693208867884E-03 | ||
3724 | 2087 | 6.258723352675E-03 5.848251102884E-03 5.460741784497E-03 5.095174942927E-03 | ||
3725 | 2088 | 4.750559962088E-03 4.425935983580E-03 4.120371786784E-03 3.832965630804E-03 | ||
3726 | 2089 | 3.562845059238E-03 3.309166668894E-03 3.071115843622E-03 2.847906454538E-03 | ||
3727 | 2090 | 2.638780527968E-03 2.443007882535E-03 2.259885736856E-03 2.088738289391E-03 | ||
3728 | 2091 | 1.928916272025E-03 1.779796479023E-03 1.640781273022E-03 1.511298069766E-03 | ||
3729 | 2092 | 1.390798803317E-03 1.278759373479E-03 1.174679077199E-03 1.078080025702E-03 | ||
3730 | 2093 | 9.885065491226E-04 9.055245903651E-04 8.287210899460E-04 7.577033635052E-04 | ||
3731 | 2094 | 6.920984736764E-04 6.315525979560E-04 5.757303941735E-04 5.243143651206E-04 | ||
3732 | 2095 | 4.770042238452E-04 4.335162610611E-04 3.935827160649E-04 3.569511524890E-04 | ||
3733 | 2096 | 3.233838401533E-04 2.926571442085E-04 2.645609226933E-04 2.388979335551E-04 | ||
3734 | 2097 | 2.154832521053E-04 1.941436998108E-04 1.747172852392E-04 1.570526579048E-04 | ||
3735 | 2098 | 1.410085756817E-04 1.264533863755E-04 1.132645239707E-04 1.013280199951E-04 | ||
3736 | 2099 | 9.053803037120E-05 8.079637805416E-05 7.201211168645E-05 6.410108043421E-05 | ||
3737 | 2100 | 5.698552510643E-05 5.059368559758E-05 4.485942463670E-05 3.972186777155E-05 | ||
3738 | 2101 | 3.512505946513E-05 3.101763513399E-05 2.735250891371E-05 2.408657689546E-05 | ||
3739 | 2102 | 2.118043554059E-05 1.859811494610E-05 1.630682660343E-05 1.427672526604E-05 | ||
3740 | 2103 | 1.248068451775E-05 1.089408561334E-05 9.494619146093E-06 8.262099082817E-06 | ||
3741 | 2104 | 7.178288696059E-06 6.226737915041E-06 5.392631611554E-06 4.662648334194E-06 | ||
3742 | 2105 | 4.024829003975E-06 3.468455086200E-06 2.983935757458E-06 2.562703592485E-06 | ||
3743 | 2106 | 2.197118303262E-06 1.880378071976E-06 1.606438030065E-06 1.369935447496E-06 | ||
3744 | 2107 | 1.166121209408E-06 9.907971711334E-07 8.402589973679E-07 7.112441065236E-07 | ||
3745 | 2108 | 6.008843571868E-07 5.066631297513E-07 4.263764727467E-07 3.580979999210E-07 | ||
3746 | 2109 | 3.001472407007E-07 2.510611631271E-07 2.095686046635E-07 1.745673623062E-07 | ||
3747 | 2110 | 1.451037091365E-07 1.203541197575E-07 9.960900191259E-08 8.225824593339E-08 | ||
3748 | 2111 | 6.777841747326E-08 5.572143221872E-08 4.570456390546E-08 3.740164898426E-08 | ||
3749 | 2112 | 3.053536267040E-08 2.487045186309E-08 2.020782053829E-08 1.637937270329E-08 | ||
3750 | 2113 | 1.324352686304E-08 1.068132419976E-08 8.593060323631E-09 6.895377533748E-09 | ||
3751 | 2114 | 5.518761054668E-09 4.405388709767E-09 3.507288981766E-09 2.784767420091E-09 | ||
3752 | 2115 | 2.205065910645E-09 1.741223453401E-09 1.371110824519E-09 1.076614859533E-09 | ||
3753 | 2116 | 8.429511095779E-10 6.580863197636E-10 5.122545833068E-10 3.975531612696E-10 | ||
3754 | 2117 | 3.076058493724E-10 2.372834425806E-10 1.824723161587E-10 1.398834284499E-10 | ||
3755 | 2118 | 1.068951743011E-10 8.142449601979E-11 6.182150693341E-11 4.678361563803E-11 | ||
3756 | 2119 | 3.528577027161E-11 2.652398379380E-11 1.986976434888E-11 1.483346927552E-11 | ||
3757 | 2120 | 1.103493613973E-11 8.180027278604E-12 6.041962842439E-12 4.446517483639E-12 | ||
3758 | 2121 | 3.260323186411E-12 2.381660104777E-12 1.733232903437E-12 1.256525647338E-12 | ||
3759 | 2122 | 9.074069352225E-13 6.527214514685E-13 4.676567594807E-13 3.337169742694E-13 | ||
3760 | 2123 | 2.371696257347E-13 1.678599887362E-13 1.183096149542E-13 8.303376234749E-14 | ||
3761 | 2124 | 5.802672007885E-14 4.037536614716E-14 2.797024604702E-14 1.929049536135E-14 | ||
3762 | 2125 | 1.324443292071E-14 9.051937732191E-15 6.158046225326E-15 4.169771037072E-15 | ||
3763 | 2126 | 2.810112518546E-15 1.884740161646E-15 1.257966984706E-15 8.355075162246E-16 | ||
3764 | 2127 | 5.521637344100E-16 3.630734541803E-16 2.375213041190E-16 1.545838432587E-16 | ||
3765 | 2128 | 1.000807939675E-16 6.445161229374E-17 4.128422734434E-17 2.630101008973E-17 | ||
3766 | 2129 | 1.666359779627E-17 1.049888095924E-17 6.577556181677E-18 4.097344486417E-18 | ||
3767 | 2130 | 2.537613040610E-18 1.562433606000E-18 9.563103329839E-19 5.818146696199E-19 | ||
3768 | 2131 | 3.518244793501E-19 2.114412000103E-19 1.262820239881E-19 7.494584560423E-20 | ||
3769 | 2132 | 4.419498831614E-20 2.589302492584E-20 1.507097303723E-20 8.713898810447E-21 | ||
3770 | 2133 | 5.004491645730E-21 2.854609573732E-21 1.617094303603E-21 9.096785770708E-22 | ||
3771 | 2134 | 5.081199030644E-22 2.817936523715E-22 1.551470820882E-22 8.479369691192E-23 | ||
3772 | 2135 | 4.599924677484E-23 2.476647439847E-23 1.323312998778E-23 7.016232529897E-24 | ||
3773 | 2136 | 3.691015946468E-24 1.926395391758E-24 9.973761185897E-25 5.122033761482E-25 | ||
3774 | 2137 | 2.608862551436E-25 1.317771284033E-25 6.600292394766E-26 3.277738064918E-26 | ||
3775 | 2138 | 1.613713012419E-26 7.875385223387E-27 3.809453047796E-27 1.826207058785E-27 | ||
3776 | 2139 | 8.675302581610E-28 4.083348992935E-28 1.904123136805E-28 8.795671515551E-29 | ||
3777 | 2140 | 4.024264866519E-29 1.823455616731E-29 8.181666527515E-30 3.634732787663E-30 | ||
3778 | 2141 | 1.598574496718E-30 6.959336309450E-31 2.998620646588E-31 1.278608298980E-31 | ||
3779 | 2142 | 5.394592588831E-32 2.251785878107E-32 9.297888129330E-33 3.797266809101E-33 | ||
3780 | 2143 | 1.533654632954E-33 6.124816468518E-34 2.418278565836E-34 9.438550298722E-35 | ||
3781 | 2144 | 3.641055162734E-35 1.388061744878E-35 5.228603750616E-36 1.945777777322E-36 | ||
3782 | 2145 | 7.152629754130E-37 2.596790857808E-37 9.309791034720E-38 3.295390911787E-38 | ||
3783 | 2146 | 1.151514916245E-38 3.971538408517E-39 1.351775641840E-39 4.539801557473E-40 | ||
3784 | 2147 | 1.504124494208E-40 4.915578818450E-41 1.584289947559E-41 5.034954715353E-42 | ||
3785 | 2148 | 1.577491750427E-42 4.872737700267E-43 1.485121422984E-43 4.459920465310E-44 | ||
3786 | 2149 | 1.319434099472E-44 3.844695354150E-45 | ||
3787 | 2150 | </data> | ||
3788 | 2151 | </radfunc> | ||
3789 | 2152 | </pswf> | ||
3790 | 2153 | <pswf n="3" l="d"> | ||
3791 | 2154 | <radfunc> | ||
3792 | 2155 | <data> | ||
3793 | 2156 | -5.009026841060E-17 2.488860415738E-17 1.008105948405E-16 2.296918841881E-16 | ||
3794 | 2157 | 4.135151137096E-16 6.543212430935E-16 9.542109844639E-16 1.315346546001E-15 | ||
3795 | 2158 | 1.739953255829E-15 2.230321269877E-15 2.788807313113E-15 3.417836475930E-15 | ||
3796 | 2159 | 4.119904053201E-15 4.897577432732E-15 5.753498032466E-15 6.690383288277E-15 | ||
3797 | 2160 | 7.711028693459E-15 8.818309891311E-15 1.001518482215E-14 1.130469592617E-14 | ||
3798 | 2161 | 1.268997240356E-14 1.417423253334E-14 1.576078605249E-14 1.745303659681E-14 | ||
3799 | 2162 | 1.925448420520E-14 2.116872788889E-14 2.319946826737E-14 2.535051027263E-14 | ||
3800 | 2163 | 2.762576592363E-14 3.002925717254E-14 3.256511882489E-14 3.523760153522E-14 | ||
3801 | 2164 | 3.805107488041E-14 4.101003051259E-14 4.411908539355E-14 4.738298511294E-14 | ||
3802 | 2165 | 5.080660729231E-14 5.439496507709E-14 5.815321071895E-14 6.208663925068E-14 | ||
3803 | 2166 | 6.620069225610E-14 7.050096173729E-14 7.499319408174E-14 7.968329413195E-14 | ||
3804 | 2167 | 8.457732935998E-14 8.968153414986E-14 9.500231419045E-14 1.005462509815E-13 | ||
3805 | 2168 | 1.063201064562E-13 1.123308277224E-13 1.185855519267E-13 1.250916112433E-13 | ||
3806 | 2169 | 1.318565379917E-13 1.388880698864E-13 1.461941554211E-13 1.537829593922E-13 | ||
3807 | 2170 | 1.616628685644E-13 1.698424974816E-13 1.783306944283E-13 1.871365475429E-13 | ||
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3809 | 2172 | 2.362663341864E-13 2.471832179305E-13 2.584886383797E-13 2.701938423562E-13 | ||
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3812 | 2175 | 3.955428131165E-13 4.119350348563E-13 4.288725555872E-13 4.463708189166E-13 | ||
3813 | 2176 | 4.644456800275E-13 4.831134163558E-13 5.023907385433E-13 5.222948016692E-13 | ||
3814 | 2177 | 5.428432167708E-13 5.640540626587E-13 5.859458980340E-13 6.085377739168E-13 | ||
3815 | 2178 | 6.318492463918E-13 6.559003896809E-13 6.807118095497E-13 7.063046570573E-13 | ||
3816 | 2179 | 7.327006426583E-13 7.599220506644E-13 7.879917540774E-13 8.169332298000E-13 | ||
3817 | 2180 | 8.467705742365E-13 8.775285192923E-13 9.092324487819E-13 9.419084152567E-13 | ||
3818 | 2181 | 9.755831572628E-13 1.010284117040E-12 1.046039458671E-12 1.082878086701E-12 | ||
3819 | 2182 | 1.120829665220E-12 1.159924637448E-12 1.200194245810E-12 1.241670552525E-12 | ||
3820 | 2183 | 1.284386460725E-12 1.328375736107E-12 1.373673029145E-12 1.420313897864E-12 | ||
3821 | 2184 | 1.468334831192E-12 1.517773272920E-12 1.568667646259E-12 1.621057379033E-12 | ||
3822 | 2185 | 1.674982929512E-12 1.730485812903E-12 1.787608628518E-12 1.846395087636E-12 | ||
3823 | 2186 | 1.906890042072E-12 1.969139513475E-12 2.033190723380E-12 2.099092124015E-12 | ||
3824 | 2187 | 2.166893429903E-12 2.236645650263E-12 2.308401122241E-12 2.382213544987E-12 | ||
3825 | 2188 | 2.458138014595E-12 2.536231059945E-12 2.616550679446E-12 2.699156378724E-12 | ||
3826 | 2189 | 2.784109209263E-12 2.871471808035E-12 2.961308438139E-12 3.053685030475E-12 | ||
3827 | 2190 | 3.148669226475E-12 3.246330421928E-12 3.346739811919E-12 3.449970436909E-12 | ||
3828 | 2191 | 3.556097229995E-12 3.665197065364E-12 3.777348807987E-12 3.892633364579E-12 | ||
3829 | 2192 | 4.011133735849E-12 4.132935070086E-12 4.258124718104E-12 4.386792289593E-12 | ||
3830 | 2193 | 4.519029710893E-12 4.654931284243E-12 4.794593748543E-12 4.938116341651E-12 | ||
3831 | 2194 | 5.085600864273E-12 5.237151745473E-12 5.392876109852E-12 5.552883846435E-12 | ||
3832 | 2195 | 5.717287679309E-12 5.886203240060E-12 6.059749142044E-12 6.238047056559E-12 | ||
3833 | 2196 | 6.421221790942E-12 6.609401368658E-12 6.802717111423E-12 7.001303723413E-12 | ||
3834 | 2197 | 7.205299377617E-12 7.414845804383E-12 7.630088382210E-12 7.851176230860E-12 | ||
3835 | 2198 | 8.078262306820E-12 8.311503501199E-12 8.551060740115E-12 8.797099087627E-12 | ||
3836 | 2199 | 9.049787851279E-12 9.309300690339E-12 9.575815726772E-12 9.849515659043E-12 | ||
3837 | 2200 | 1.013058787880E-11 1.041922459055E-11 1.071562293430E-11 1.101998511145E-11 | ||
3838 | 2201 | 1.133251851369E-11 1.165343585538E-11 1.198295530913E-11 1.232130064489E-11 | ||
3839 | 2202 | 1.266870137260E-11 1.302539288836E-11 1.339161662444E-11 1.376762020300E-11 | ||
3840 | 2203 | 1.415365759378E-11 1.454998927571E-11 1.495688240271E-11 1.537461097366E-11 | ||
3841 | 2204 | 1.580345600668E-11 1.624370571782E-11 1.669565570433E-11 1.715960913254E-11 | ||
3842 | 2205 | 1.763587693052E-11 1.812477798564E-11 1.862663934714E-11 1.914179643379E-11 | ||
3843 | 2206 | 1.967059324693E-11 2.021338258878E-11 2.077052628640E-11 2.134239542125E-11 | ||
3844 | 2207 | 2.192937056467E-11 2.253184201919E-11 2.315021006610E-11 2.378488521923E-11 | ||
3845 | 2208 | 2.443628848518E-11 2.510485163013E-11 2.579101745347E-11 2.649524006830E-11 | ||
3846 | 2209 | 2.721798518907E-11 2.795973042658E-11 2.872096559031E-11 2.950219299860E-11 | ||
3847 | 2210 | 3.030392779651E-11 3.112669828188E-11 3.197104623961E-11 3.283752728434E-11 | ||
3848 | 2211 | 3.372671121199E-11 3.463918235997E-11 3.557553997679E-11 3.653639860078E-11 | ||
3849 | 2212 | 3.752238844862E-11 3.853415581356E-11 3.957236347383E-11 4.063769111135E-11 | ||
3850 | 2213 | 4.173083574107E-11 4.285251215119E-11 4.400345335450E-11 4.518441105120E-11 | ||
3851 | 2214 | 4.639615610342E-11 4.763947902175E-11 4.891519046414E-11 5.022412174738E-11 | ||
3852 | 2215 | 5.156712537155E-11 5.294507555781E-11 5.435886879972E-11 5.580942442856E-11 | ||
3853 | 2216 | 5.729768519300E-11 5.882461785340E-11 6.039121379119E-11 6.199848963363E-11 | ||
3854 | 2217 | 6.364748789445E-11 6.533927763066E-11 6.707495511604E-11 6.885564453158E-11 | ||
3855 | 2218 | 7.068249867353E-11 7.255669967922E-11 7.447945977142E-11 7.645202202135E-11 | ||
3856 | 2219 | 7.847566113116E-11 8.055168423610E-11 8.268143172706E-11 8.486627809386E-11 | ||
3857 | 2220 | 8.710763278990E-11 8.940694111873E-11 9.176568514291E-11 9.418538461603E-11 | ||
3858 | 2221 | 9.666759793819E-11 9.921392313563E-11 1.018259988652E-10 1.045055054443E-10 | ||
3859 | 2222 | 1.072541659066E-10 1.100737470846E-10 1.129660607198E-10 1.159329646004E-10 | ||
3860 | 2223 | 1.189763637283E-10 1.220982115152E-10 1.253005110092E-10 1.285853161520E-10 | ||
3861 | 2224 | 1.319547330685E-10 1.354109213884E-10 1.389560956014E-10 1.425925264466E-10 | ||
3862 | 2225 | 1.463225423373E-10 1.501485308211E-10 1.540729400776E-10 1.580982804532E-10 | ||
3863 | 2226 | 1.622271260357E-10 1.664621162673E-10 1.708059575994E-10 1.752614251886E-10 | ||
3864 | 2227 | 1.798313646358E-10 1.845186937688E-10 1.893264044704E-10 1.942575645524E-10 | ||
3865 | 2228 | 1.993153196763E-10 2.045028953234E-10 2.098235988140E-10 2.152808213778E-10 | ||
3866 | 2229 | 2.208780402758E-10 2.266188209769E-10 2.325068193882E-10 2.385457841420E-10 | ||
3867 | 2230 | 2.447395589406E-10 2.510920849601E-10 2.576074033139E-10 2.642896575798E-10 | ||
3868 | 2231 | 2.711430963893E-10 2.781720760829E-10 2.853810634319E-10 2.927746384290E-10 | ||
3869 | 2232 | 3.003574971486E-10 3.081344546796E-10 3.161104481317E-10 3.242905397172E-10 | ||
3870 | 2233 | 3.326799199105E-10 3.412839106872E-10 3.501079688438E-10 3.591576894020E-10 | ||
3871 | 2234 | 3.684388090973E-10 3.779572099562E-10 3.877189229626E-10 3.977301318168E-10 | ||
3872 | 2235 | 4.079971767881E-10 4.185265586646E-10 4.293249428022E-10 4.403991632746E-10 | ||
3873 | 2236 | 4.517562271280E-10 4.634033187418E-10 4.753478042991E-10 4.875972363688E-10 | ||
3874 | 2237 | 5.001593586028E-10 5.130421105507E-10 5.262536325946E-10 5.398022710081E-10 | ||
3875 | 2238 | 5.536965831414E-10 5.679453427360E-10 5.825575453723E-10 5.975424140537E-10 | ||
3876 | 2239 | 6.129094049296E-10 6.286682131618E-10 6.448287789369E-10 6.614012936292E-10 | ||
3877 | 2240 | 6.783962061165E-10 6.958242292547E-10 7.136963465124E-10 7.320238187711E-10 | ||
3878 | 2241 | 7.508181912957E-10 7.700913008770E-10 7.898552831530E-10 8.101225801118E-10 | ||
3879 | 2242 | 8.309059477805E-10 8.522184641065E-10 8.740735370328E-10 8.964849127747E-10 | ||
3880 | 2243 | 9.194666843019E-10 9.430333000299E-10 9.671995727275E-10 9.919806886448E-10 | ||
3881 | 2244 | 1.017392216867E-09 1.043450118899E-09 1.070170758487E-09 1.097570911686E-09 | ||
3882 | 2245 | 1.125667777166E-09 1.154478986787E-09 1.184022616422E-09 1.214317197052E-09 | ||
3883 | 2246 | 1.245381726135E-09 1.277235679252E-09 1.309899022039E-09 1.343392222416E-09 | ||
3884 | 2247 | 1.377736263110E-09 1.412952654491E-09 1.449063447720E-09 1.486091248212E-09 | ||
3885 | 2248 | 1.524059229445E-09 1.562991147087E-09 1.602911353478E-09 1.643844812470E-09 | ||
3886 | 2249 | 1.685817114612E-09 1.728854492721E-09 1.772983837825E-09 1.818232715488E-09 | ||
3887 | 2250 | 1.864629382540E-09 1.912202804205E-09 1.960982671648E-09 2.010999419943E-09 | ||
3888 | 2251 | 2.062284246474E-09 2.114869129784E-09 2.168786848873E-09 2.224071002961E-09 | ||
3889 | 2252 | 2.280756031725E-09 2.338877236023E-09 2.398470799111E-09 2.459573808369E-09 | ||
3890 | 2253 | 2.522224277544E-09 2.586461169522E-09 2.652324419646E-09 2.719854959576E-09 | ||
3891 | 2254 | 2.789094741733E-09 2.860086764297E-09 2.932875096819E-09 3.007504906418E-09 | ||
3892 | 2255 | 3.084022484603E-09 3.162475274723E-09 3.242911900055E-09 3.325382192556E-09 | ||
3893 | 2256 | 3.409937222276E-09 3.496629327462E-09 3.585512145356E-09 3.676640643707E-09 | ||
3894 | 2257 | 3.770071153012E-09 3.865861399490E-09 3.964070538830E-09 4.064759190692E-09 | ||
3895 | 2258 | 4.167989474007E-09 4.273825043081E-09 4.382331124506E-09 4.493574554924E-09 | ||
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3901 | 2264 | 7.599702762867E-09 7.791873612244E-09 7.988864065618E-09 8.190793386828E-09 | ||
3902 | 2265 | 8.397783713361E-09 8.609960121620E-09 8.827450693476E-09 9.050386584106E-09 | ||
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3904 | 2267 | 1.025156020264E-08 1.051010324661E-08 1.077510172189E-08 1.104671397039E-08 | ||
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3915 | 2278 | 3.043717746730E-08 3.119157511908E-08 3.196418344899E-08 3.275541785318E-08 | ||
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3919 | 2282 | 4.494081023569E-08 4.604119323021E-08 4.716746754754E-08 4.832018947227E-08 | ||
3920 | 2283 | 4.949992449478E-08 5.070724731240E-08 5.194274182027E-08 5.320700109119E-08 | ||
3921 | 2284 | 5.450062734373E-08 5.582423189801E-08 5.717843511822E-08 5.856386634122E-08 | ||
3922 | 2285 | 5.998116379047E-08 6.143097447426E-08 6.291395406755E-08 6.443076677647E-08 | ||
3923 | 2286 | 6.598208518458E-08 6.756859007988E-08 6.919097026169E-08 7.084992232636E-08 | ||
3924 | 2287 | 7.254615043077E-08 7.428036603257E-08 7.605328760620E-08 7.786564033344E-08 | ||
3925 | 2288 | 7.971815576751E-08 8.161157146955E-08 8.354663061637E-08 8.552408157835E-08 | ||
3926 | 2289 | 8.754467746626E-08 8.960917564604E-08 9.171833722016E-08 9.387292647470E-08 | ||
3927 | 2290 | 9.607371029079E-08 9.832145751954E-08 1.006169383193E-07 1.029609234541E-07 | ||
3928 | 2291 | 1.053541835528E-07 1.077974883274E-07 1.102916057499E-07 1.128373011874E-07 | ||
3929 | 2292 | 1.154353364940E-07 1.180864690597E-07 1.207914508152E-07 1.235510271928E-07 | ||
3930 | 2293 | 1.263659360429E-07 1.292369065067E-07 1.321646578442E-07 1.351498982194E-07 | ||
3931 | 2294 | 1.381933234424E-07 1.412956156691E-07 1.444574420614E-07 1.476794534064E-07 | ||
3932 | 2295 | 1.509622827002E-07 1.543065436953E-07 1.577128294163E-07 1.611817106458E-07 | ||
3933 | 2296 | 1.647137343844E-07 1.683094222894E-07 1.719692690956E-07 1.756937410242E-07 | ||
3934 | 2297 | 1.794832741849E-07 1.833382729781E-07 1.872591085038E-07 1.912461169843E-07 | ||
3935 | 2298 | 1.952995982112E-07 1.994198140223E-07 2.036069868224E-07 2.078612981555E-07 | ||
3936 | 2299 | 2.121828873418E-07 2.165718501911E-07 2.210282378061E-07 2.255520554905E-07 | ||
3937 | 2300 | 2.301432617751E-07 2.348017675803E-07 2.395274355293E-07 2.443200794312E-07 | ||
3938 | 2301 | 2.491794639522E-07 2.541053044932E-07 2.590972672944E-07 2.641549697867E-07 | ||
3939 | 2302 | 2.692779812117E-07 2.744658235303E-07 2.797179726429E-07 2.850338599420E-07 | ||
3940 | 2303 | 2.904128742185E-07 2.958543639446E-07 3.013576399528E-07 3.069219785313E-07 | ||
3941 | 2304 | 3.125466249558E-07 3.182307974753E-07 3.239736917675E-07 3.297744858786E-07 | ||
3942 | 2305 | 3.356323456601E-07 3.415464307096E-07 3.475159008240E-07 3.535399229650E-07 | ||
3943 | 2306 | 3.596176787360E-07 3.657483723633E-07 3.719312391687E-07 3.781655545159E-07 | ||
3944 | 2307 | 3.844506432066E-07 3.907858892932E-07 3.971707462704E-07 4.036047475966E-07 | ||
3945 | 2308 | 4.100875174900E-07 4.166187819322E-07 4.231983798051E-07 4.298262740728E-07 | ||
3946 | 2309 | 4.365025629139E-07 4.432274906930E-07 4.500014586544E-07 4.568250352041E-07 | ||
3947 | 2310 | 4.636989656397E-07 4.706241811709E-07 4.776018070671E-07 4.846331697568E-07 | ||
3948 | 2311 | 4.917198026912E-07 4.988634507820E-07 5.060660732120E-07 5.133298444160E-07 | ||
3949 | 2312 | 5.206571530290E-07 5.280505985982E-07 5.355129858659E-07 5.430473164413E-07 | ||
3950 | 2313 | 5.506567776974E-07 5.583447287562E-07 5.661146834621E-07 5.739702902859E-07 | ||
3951 | 2314 | 5.819153091623E-07 5.899535853342E-07 5.980890203611E-07 6.063255405548E-07 | ||
3952 | 2315 | 6.146670632241E-07 6.231174612485E-07 6.316805266617E-07 6.403599340984E-07 | ||
3953 | 2316 | 6.491592051515E-07 6.580816748879E-07 6.671304619787E-07 6.763084440994E-07 | ||
3954 | 2317 | 6.856182404313E-07 6.950622032314E-07 7.046424204910E-07 7.143607316529E-07 | ||
3955 | 2318 | 7.242187581245E-07 7.342179498708E-07 7.443596485758E-07 7.546451666398E-07 | ||
3956 | 2319 | 7.650758794657E-07 7.756533259144E-07 7.863793082367E-07 7.972559779407E-07 | ||
3957 | 2320 | 8.082858872566E-07 8.194719776479E-07 8.308174784572E-07 8.423257425313E-07 | ||
3958 | 2321 | 8.540001727046E-07 8.658442790812E-07 8.778616303304E-07 8.900558743223E-07 | ||
3959 | 2322 | 9.024307324968E-07 9.149900013942E-07 9.277375526149E-07 9.406773329736E-07 | ||
3960 | 2323 | 9.538133646173E-07 9.671497451400E-07 9.806906476960E-07 9.944403211170E-07 | ||
3961 | 2324 | 1.008403090034E-06 1.022583355014E-06 1.036985592707E-06 1.051614356023E-06 | ||
3962 | 2325 | 1.066474274323E-06 1.081570053653E-06 1.096906477006E-06 1.112488404629E-06 | ||
3963 | 2326 | 1.128320774376E-06 1.144408602119E-06 1.160756982212E-06 1.177371088024E-06 | ||
3964 | 2327 | 1.194256172545E-06 1.211417569070E-06 1.228860691966E-06 1.246591037534E-06 | ||
3965 | 2328 | 1.264614184972E-06 1.282935797439E-06 1.301561623241E-06 1.320497497131E-06 | ||
3966 | 2329 | 1.339749341743E-06 1.359323169164E-06 1.379225082650E-06 1.399461278496E-06 | ||
3967 | 2330 | 1.420038048065E-06 1.440961779998E-06 1.462238962588E-06 1.483876186357E-06 | ||
3968 | 2331 | 1.505880146822E-06 1.528257647465E-06 1.551015602928E-06 1.574161042420E-06 | ||
3969 | 2332 | 1.597701113371E-06 1.621643085320E-06 1.645994354057E-06 1.670762446033E-06 | ||
3970 | 2333 | 1.695955023042E-06 1.721579887174E-06 1.747644986081E-06 1.774158418523E-06 | ||
3971 | 2334 | 1.801128440245E-06 1.828563470166E-06 1.856472096901E-06 1.884863085637E-06 | ||
3972 | 2335 | 1.913745385343E-06 1.943128136368E-06 1.973020678387E-06 2.003432558758E-06 | ||
3973 | 2336 | 2.034373541251E-06 2.065853615196E-06 2.097883005047E-06 2.130472180361E-06 | ||
3974 | 2337 | 2.163631866232E-06 2.197373054152E-06 2.231707013347E-06 2.266645302573E-06 | ||
3975 | 2338 | 2.302199782391E-06 2.338382627934E-06 2.375206342170E-06 2.412683769679E-06 | ||
3976 | 2339 | 2.450828110946E-06 2.489652937187E-06 2.529172205714E-06 2.569400275853E-06 | ||
3977 | 2340 | 2.610351925417E-06 2.652042367752E-06 2.694487269369E-06 2.737702768152E-06 | ||
3978 | 2341 | 2.781705492180E-06 2.826512579144E-06 2.872141696391E-06 2.918611061591E-06 | ||
3979 | 2342 | 2.965939464036E-06 3.014146286588E-06 3.063251528275E-06 3.113275827550E-06 | ||
3980 | 2343 | 3.164240486217E-06 3.216167494030E-06 3.269079553978E-06 3.323000108260E-06 | ||
3981 | 2344 | 3.377953364954E-06 3.433964325390E-06 3.491058812234E-06 3.549263498281E-06 | ||
3982 | 2345 | 3.608605935973E-06 3.669114587640E-06 3.730818856469E-06 3.793749118204E-06 | ||
3983 | 2346 | 3.857936753590E-06 3.923414181547E-06 3.990214893093E-06 4.058373486009E-06 | ||
3984 | 2347 | 4.127925700253E-06 4.198908454114E-06 4.271359881125E-06 4.345319367718E-06 | ||
3985 | 2348 | 4.420827591625E-06 4.497926561037E-06 4.576659654497E-06 4.657071661546E-06 | ||
3986 | 2349 | 4.739208824113E-06 4.823118878637E-06 4.908851098937E-06 4.996456339811E-06 | ||
3987 | 2350 | 5.085987081362E-06 5.177497474061E-06 5.271043384524E-06 5.366682442010E-06 | ||
3988 | 2351 | 5.464474085633E-06 5.564479612283E-06 5.666762225249E-06 5.771387083547E-06 | ||
3989 | 2352 | 5.878421351931E-06 5.987934251612E-06 6.099997111645E-06 6.214683421008E-06 | ||
3990 | 2353 | 6.332068881360E-06 6.452231460469E-06 6.575251446323E-06 6.701211501904E-06 | ||
3991 | 2354 | 6.830196720645E-06 6.962294682553E-06 7.097595511008E-06 7.236191930256E-06 | ||
3992 | 2355 | 7.378179323563E-06 7.523655792089E-06 7.672722214443E-06 7.825482306965E-06 | ||
3993 | 2356 | 7.982042684728E-06 8.142512923292E-06 8.307005621212E-06 8.475636463345E-06 | ||
3994 | 2357 | 8.648524284957E-06 8.825791136677E-06 9.007562350323E-06 9.193966605642E-06 | ||
3995 | 2358 | 9.385135997991E-06 9.581206107026E-06 9.782316066423E-06 9.988608634705E-06 | ||
3996 | 2359 | 1.020023026723E-05 1.041733118937E-05 1.064006547104E-05 1.086859110250E-05 | ||
3997 | 2360 | 1.110307007169E-05 1.134366844302E-05 1.159055643780E-05 1.184390851638E-05 | ||
3998 | 2361 | 1.210390346212E-05 1.237072446722E-05 1.264455922062E-05 1.292559999803E-05 | ||
3999 | 2362 | 1.321404375423E-05 1.351009221777E-05 1.381395198817E-05 1.412583463577E-05 | ||
4000 | 2363 | 1.444595680447E-05 1.477454031731E-05 1.511181228524E-05 1.545800521908E-05 | ||
4001 | 2364 | 1.581335714493E-05 1.617811172318E-05 1.655251837121E-05 1.693683239002E-05 | ||
4002 | 2365 | 1.733131509500E-05 1.773623395086E-05 1.815186271105E-05 1.857848156178E-05 | ||
4003 | 2366 | 1.901637727084E-05 1.946584334131E-05 1.992718017047E-05 2.040069521407E-05 | ||
4004 | 2367 | 2.088670315596E-05 2.138552608352E-05 2.189749366887E-05 2.242294335611E-05 | ||
4005 | 2368 | 2.296222055478E-05 2.351567883962E-05 2.408368015695E-05 2.466659503768E-05 | ||
4006 | 2369 | 2.526480281718E-05 2.587869186221E-05 2.650865980503E-05 2.715511378477E-05 | ||
4007 | 2370 | 2.781847069642E-05 2.849915744731E-05 2.919761122151E-05 2.991427975209E-05 | ||
4008 | 2371 | 3.064962160149E-05 3.140410645007E-05 3.217821539311E-05 3.297244124621E-05 | ||
4009 | 2372 | 3.378728885944E-05 3.462327544020E-05 3.548093088502E-05 3.636079812049E-05 | ||
4010 | 2373 | 3.726343345335E-05 3.818940692991E-05 3.913930270508E-05 4.011371942096E-05 | ||
4011 | 2374 | 4.111327059531E-05 4.213858501993E-05 4.319030716931E-05 4.426909761944E-05 | ||
4012 | 2375 | 4.537563347721E-05 4.651060882048E-05 4.767473514900E-05 4.886874184639E-05 | ||
4013 | 2376 | 5.009337665348E-05 5.134940615305E-05 5.263761626640E-05 5.395881276184E-05 | ||
4014 | 2377 | 5.531382177545E-05 5.670349034427E-05 5.812868695237E-05 5.959030208984E-05 | ||
4015 | 2378 | 6.108924882528E-05 6.262646339182E-05 6.420290578727E-05 6.581956038853E-05 | ||
4016 | 2379 | 6.747743658070E-05 6.917756940129E-05 7.092102019985E-05 7.270887731342E-05 | ||
4017 | 2380 | 7.454225675827E-05 7.642230293829E-05 7.835018937053E-05 8.032711942823E-05 | ||
4018 | 2381 | 8.235432710197E-05 8.443307777933E-05 8.656466904348E-05 8.875043149145E-05 | ||
4019 | 2382 | 9.099172957229E-05 9.328996244597E-05 9.564656486334E-05 9.806300806786E-05 | ||
4020 | 2383 | 1.005408007196E-04 1.030814898423E-04 1.056866617936E-04 1.083579432600E-04 | ||
4021 | 2384 | 1.110970022760E-04 1.139055492690E-04 1.167853381308E-04 1.197381673148E-04 | ||
4022 | 2385 | 1.227658809622E-04 1.258703700550E-04 1.290535735993E-04 1.323174798375E-04 | ||
4023 | 2386 | 1.356641274918E-04 1.390956070382E-04 1.426140620135E-04 1.462216903546E-04 | ||
4024 | 2387 | 1.499207457726E-04 1.537135391605E-04 1.576024400375E-04 1.615898780293E-04 | ||
4025 | 2388 | 1.656783443861E-04 1.698703935392E-04 1.741686446965E-04 1.785757834792E-04 | ||
4026 | 2389 | 1.830945635994E-04 1.877278085802E-04 1.924784135203E-04 1.973493469020E-04 | ||
4027 | 2390 | 2.023436524460E-04 2.074644510129E-04 2.127149425533E-04 2.180984081065E-04 | ||
4028 | 2391 | 2.236182118506E-04 2.292778032045E-04 2.350807189832E-04 2.410305856071E-04 | ||
4029 | 2392 | 2.471311213684E-04 2.533861387541E-04 2.597995468282E-04 2.663753536744E-04 | ||
4030 | 2393 | 2.731176689006E-04 2.800307062063E-04 2.871187860166E-04 2.943863381812E-04 | ||
4031 | 2394 | 3.018379047428E-04 3.094781427755E-04 3.173118272951E-04 3.253438542428E-04 | ||
4032 | 2395 | 3.335792435450E-04 3.420231422504E-04 3.506808277466E-04 3.595577110579E-04 | ||
4033 | 2396 | 3.686593402271E-04 3.779914037830E-04 3.875597342949E-04 3.973703120182E-04 | ||
4034 | 2397 | 4.074292686316E-04 4.177428910694E-04 4.283176254506E-04 4.391600811074E-04 | ||
4035 | 2398 | 4.502770347161E-04 4.616754345325E-04 4.733624047342E-04 4.853452498733E-04 | ||
4036 | 2399 | 4.976314594416E-04 5.102287125515E-04 5.231448827356E-04 5.363880428673E-04 | ||
4037 | 2400 | 5.499664702069E-04 5.638886515741E-04 5.781632886532E-04 5.927993034310E-04 | ||
4038 | 2401 | 6.078058437735E-04 6.231922891434E-04 6.389682564620E-04 6.551436061204E-04 | ||
4039 | 2402 | 6.717284481422E-04 6.887331485020E-04 7.061683356049E-04 7.240449069293E-04 | ||
4040 | 2403 | 7.423740358375E-04 7.611671785602E-04 7.804360813559E-04 8.001927878531E-04 | ||
4041 | 2404 | 8.204496465779E-04 8.412193186716E-04 8.625147858047E-04 8.843493582905E-04 | ||
4042 | 2405 | 9.067366834045E-04 9.296907539141E-04 9.532259168246E-04 9.773568823462E-04 | ||
4043 | 2406 | 1.002098733089E-03 1.027466933488E-03 1.053477339472E-03 1.080146208371E-03 | ||
4044 | 2407 | 1.107490209080E-03 1.135526432474E-03 1.164272402095E-03 1.193746085101E-03 | ||
4045 | 2408 | 1.223965903497E-03 1.254950745650E-03 1.286719978094E-03 1.319293457634E-03 | ||
4046 | 2409 | 1.352691543760E-03 1.386935111369E-03 1.422045563814E-03 1.458044846281E-03 | ||
4047 | 2410 | 1.494955459506E-03 1.532800473839E-03 1.571603543664E-03 1.611388922181E-03 | ||
4048 | 2411 | 1.652181476567E-03 1.694006703521E-03 1.736890745195E-03 1.780860405539E-03 | ||
4049 | 2412 | 1.825943167050E-03 1.749354938681E-03 1.727624044111E-03 1.706163096501E-03 | ||
4050 | 2413 | 1.684968742467E-03 1.664037670301E-03 | ||
4051 | 2414 | </data> | ||
4052 | 2415 | </radfunc> | ||
4053 | 2416 | </pswf> | ||
4054 | 2417 | <pswf n="4" l="f"> | ||
4055 | 2418 | <radfunc> | ||
4056 | 2419 | <data> | ||
4057 | 2420 | -2.349284754170E-24 3.874757045010E-25 3.158660371980E-24 1.086330921106E-23 | ||
4058 | 2421 | 2.624102209804E-23 5.223121085020E-23 9.198373697357E-23 1.488692971750E-22 | ||
4059 | 2422 | 2.264912929870E-22 3.286975226529E-22 4.595927365011E-22 6.235515755772E-22 | ||
4060 | 2423 | 8.252321923195E-22 1.069590434987E-21 1.361894683575E-21 1.707741338081E-21 | ||
4061 | 2424 | 2.113070996554E-21 2.584185348094E-21 3.127764811911E-21 3.750886953159E-21 | ||
4062 | 2425 | 4.461045708028E-21 5.266171451722E-21 6.174651944351E-21 7.195354191179E-21 | ||
4063 | 2426 | 8.337647255111E-21 9.611426060862E-21 1.102713623179E-20 1.259580000208E-20 | ||
4064 | 2427 | 1.432904324858E-20 1.623912368856E-20 1.833896029120E-20 2.064216395291E-20 | ||
4065 | 2428 | 2.316306948827E-20 2.591676899065E-20 2.891914661860E-20 3.218691486646E-20 | ||
4066 | 2429 | 3.573765237986E-20 3.958984337930E-20 4.376291875742E-20 4.827729891836E-20 | ||
4067 | 2430 | 5.315443842996E-20 5.841687256298E-20 6.408826579376E-20 7.019346235036E-20 | ||
4068 | 2431 | 7.675853888513E-20 8.381085935983E-20 9.137913223332E-20 9.949347004477E-20 | ||
4069 | 2432 | 1.081854514896E-19 1.174881860887E-19 1.274363815563E-19 1.380664139745E-19 | ||
4070 | 2433 | 1.494164008886E-19 1.615262774408E-19 1.744378756644E-19 1.881950070657E-19 | ||
4071 | 2434 | 2.028435486264E-19 2.184315323633E-19 2.350092385893E-19 2.526292930228E-19 | ||
4072 | 2435 | 2.713467679010E-19 2.912192872575E-19 3.123071365305E-19 3.346733766760E-19 | ||
4073 | 2436 | 3.583839629644E-19 3.835078686508E-19 4.101172137103E-19 4.382873988435E-19 | ||
4074 | 2437 | 4.680972449604E-19 4.996291383635E-19 5.329691818543E-19 5.682073520030E-19 | ||
4075 | 2438 | 6.054376628231E-19 6.447583361082E-19 6.862719786961E-19 7.300857669335E-19 | ||
4076 | 2439 | 7.763116386297E-19 8.250664927963E-19 8.764723974799E-19 9.306568060127E-19 | ||
4077 | 2440 | 9.877527820107E-19 1.047899233469E-18 1.111241156316E-18 1.177929887791E-18 | ||
4078 | 2441 | 1.248123370054E-18 1.321986424410E-18 1.399691036583E-18 1.481416653465E-18 | ||
4079 | 2442 | 1.567350491814E-18 1.657687859337E-18 1.752632488690E-18 1.852396884866E-18 | ||
4080 | 2443 | 1.957202686526E-18 2.067281041807E-18 2.182872999188E-18 2.304229913996E-18 | ||
4081 | 2444 | 2.431613871179E-18 2.565298124979E-18 2.705567556172E-18 2.852719147566E-18 | ||
4082 | 2445 | 3.007062478471E-18 3.168920238902E-18 3.338628764262E-18 3.516538591336E-18 | ||
4083 | 2446 | 3.703015036421E-18 3.898438796457E-18 4.103206574072E-18 4.317731727470E-18 | ||
4084 | 2447 | 4.542444946133E-18 4.777794953367E-18 5.024249236716E-18 5.282294807361E-18 | ||
4085 | 2448 | 5.552438989621E-18 5.835210241748E-18 6.131159009221E-18 6.440858611836E-18 | ||
4086 | 2449 | 6.764906165893E-18 7.103923542854E-18 7.458558365912E-18 7.829485045933E-18 | ||
4087 | 2450 | 8.217405858320E-18 8.623052062400E-18 9.047185064975E-18 9.490597629785E-18 | ||
4088 | 2451 | 9.954115134658E-18 1.043859687821E-17 1.094493743803E-17 1.147406808234E-17 | ||
4089 | 2452 | 1.202695823728E-17 1.260461701185E-17 1.320809478290E-17 1.383848484246E-17 | ||
4090 | 2453 | 1.449692510974E-17 1.518459991050E-17 1.590274182621E-17 1.665263361591E-17 | ||
4091 | 2454 | 1.743561021344E-17 1.825306080305E-17 1.910643097641E-17 1.999722497424E-17 | ||
4092 | 2455 | 2.092700801576E-17 2.189740871939E-17 2.291012161836E-17 2.396690977472E-17 | ||
4093 | 2456 | 2.506960749573E-17 2.622012315660E-17 2.742044213352E-17 2.867262985151E-17 | ||
4094 | 2457 | 2.997883495140E-17 3.134129258060E-17 3.276232781241E-17 3.424435919893E-17 | ||
4095 | 2458 | 3.578990246273E-17 3.740157433261E-17 3.908209652905E-17 4.083429990524E-17 | ||
4096 | 2459 | 4.266112874958E-17 4.456564525596E-17 4.655103416836E-17 4.862060760647E-17 | ||
4097 | 2460 | 5.077781007933E-17 5.302622369432E-17 5.536957356899E-17 5.781173345363E-17 | ||
4098 | 2461 | 6.035673157273E-17 6.300875669374E-17 6.577216443202E-17 6.865148380101E-17 | ||
4099 | 2462 | 7.165142401717E-17 7.477688156947E-17 7.803294756379E-17 8.142491535264E-17 | ||
4100 | 2463 | 8.495828846144E-17 8.863878882268E-17 9.247236532993E-17 9.646520272394E-17 | ||
4101 | 2464 | 1.006237308238E-16 1.049546341164E-16 1.094648617181E-16 1.141616377227E-16 | ||
4102 | 2465 | 1.190524719510E-16 1.241451711175E-16 1.294478504294E-16 1.349689456364E-16 | ||
4103 | 2466 | 1.407172255462E-16 1.467018050264E-16 1.529321585095E-16 1.594181340209E-16 | ||
4104 | 2467 | 1.661699677508E-16 1.731982991902E-16 1.805141868529E-16 1.881291246064E-16 | ||
4105 | 2468 | 1.960550586348E-16 2.043044050578E-16 2.128900682326E-16 2.218254597624E-16 | ||
4106 | 2469 | 2.311245182412E-16 2.408017297621E-16 2.508721492186E-16 2.613514224291E-16 | ||
4107 | 2470 | 2.722558091174E-16 2.836022067810E-16 2.954081754817E-16 3.076919635948E-16 | ||
4108 | 2471 | 3.204725345527E-16 3.337695946210E-16 3.476036217490E-16 3.619958955326E-16 | ||
4109 | 2472 | 3.769685283355E-16 3.925444976115E-16 4.087476794741E-16 4.256028835628E-16 | ||
4110 | 2473 | 4.431358892539E-16 4.613734832695E-16 4.803434987373E-16 5.000748557566E-16 | ||
4111 | 2474 | 5.205976035304E-16 5.419429641211E-16 5.641433778944E-16 5.872325507155E-16 | ||
4112 | 2475 | 6.112455029644E-16 6.362186204412E-16 6.621897072332E-16 6.891980406203E-16 | ||
4113 | 2476 | 7.172844280950E-16 7.464912665809E-16 7.768626039316E-16 8.084442027997E-16 | ||
4114 | 2477 | 8.412836069653E-16 8.754302102195E-16 9.109353279008E-16 9.478522711858E-16 | ||
4115 | 2478 | 9.862364242408E-16 1.026145324343E-15 1.067638745087E-15 1.110778782792E-15 | ||
4116 | 2479 | 1.155629946239E-15 1.202259249855E-15 1.250736310488E-15 1.301133447905E-15 | ||
4117 | 2480 | 1.353525789153E-15 1.407991376940E-15 1.464611282177E-15 1.523469720861E-15 | ||
4118 | 2481 | 1.584654175438E-15 1.648255520844E-15 1.714368155391E-15 1.783090136680E-15 | ||
4119 | 2482 | 1.854523322743E-15 1.928773518612E-15 2.005950628518E-15 2.086168813943E-15 | ||
4120 | 2483 | 2.169546657743E-15 2.256207334581E-15 2.346278787908E-15 2.439893913742E-15 | ||
4121 | 2484 | 2.537190751508E-15 2.638312682214E-15 2.743408634231E-15 2.852633296986E-15 | ||
4122 | 2485 | 2.966147342851E-15 3.084117657568E-15 3.206717579507E-15 3.334127148121E-15 | ||
4123 | 2486 | 3.466533361937E-15 3.604130446451E-15 3.747120132310E-15 3.895711944166E-15 | ||
4124 | 2487 | 4.050123500624E-15 4.210580825699E-15 4.377318672225E-15 4.550580857674E-15 | ||
4125 | 2488 | 4.730620612862E-15 4.917700944040E-15 5.112095008861E-15 5.314086506791E-15 | ||
4126 | 2489 | 5.523970084480E-15 5.742051756688E-15 5.968649343359E-15 6.204092923451E-15 | ||
4127 | 2490 | 6.448725306174E-15 6.702902520300E-15 6.966994322231E-15 7.241384723548E-15 | ||
4128 | 2491 | 7.526472538793E-15 7.822671954236E-15 8.130413118462E-15 8.450142755581E-15 | ||
4129 | 2492 | 8.782324801952E-15 9.127441067303E-15 9.485991921192E-15 9.858497005769E-15 | ||
4130 | 2493 | 1.024549597585E-14 1.064754926737E-14 1.106523889521E-14 1.149916928169E-14 | ||
4131 | 2494 | 1.194996811670E-14 1.241828725086E-14 1.290480362281E-14 1.341022022211E-14 | ||
4132 | 2495 | 1.393526708893E-14 1.448070235204E-14 1.504731330662E-14 1.563591753322E-14 | ||
4133 | 2496 | 1.624736405966E-14 1.688253456736E-14 1.754234464387E-14 1.822774508334E-14 | ||
4134 | 2497 | 1.893972323674E-14 1.967930441381E-14 2.044755333863E-14 2.124557566088E-14 | ||
4135 | 2498 | 2.207451952496E-14 2.293557719913E-14 2.382998676695E-14 2.475903388351E-14 | ||
4136 | 2499 | 2.572405359874E-14 2.672643225056E-14 2.776760943033E-14 2.884908002361E-14 | ||
4137 | 2500 | 2.997239632880E-14 3.113917025695E-14 3.235107561553E-14 3.360985047969E-14 | ||
4138 | 2501 | 3.491729965397E-14 3.627529722832E-14 3.768578923163E-14 3.915079638684E-14 | ||
4139 | 2502 | 4.067241697121E-14 4.225282978602E-14 4.389429723962E-14 4.559916854834E-14 | ||
4140 | 2503 | 4.736988305973E-14 4.920897370264E-14 5.111907056916E-14 5.310290463339E-14 | ||
4141 | 2504 | 5.516331161214E-14 5.730323597311E-14 5.952573509617E-14 6.183398359338E-14 | ||
4142 | 2505 | 6.423127779404E-14 6.672104040093E-14 6.930682532417E-14 7.199232269970E-14 | ||
4143 | 2506 | 7.478136409917E-14 7.767792793860E-14 8.068614509351E-14 8.381030472808E-14 | ||
4144 | 2507 | 8.705486034680E-14 9.042443607683E-14 9.392383318995E-14 9.755803687326E-14 | ||
4145 | 2508 | 1.013322232579E-13 1.052517667156E-13 1.093222474340E-13 1.135494592795E-13 | ||
4146 | 2509 | 1.179394179608E-13 1.224983695031E-13 1.272327990448E-13 1.321494399699E-13 | ||
4147 | 2510 | 1.372552833875E-13 1.425575879728E-13 1.480638901827E-13 1.537820148602E-13 | ||
4148 | 2511 | 1.597200862420E-13 1.658865393859E-13 1.722901320323E-13 1.789399569172E-13 | ||
4149 | 2512 | 1.858454545534E-13 1.930164264981E-13 2.004630491247E-13 2.081958879182E-13 | ||
4150 | 2513 | 2.162259123138E-13 2.245645111001E-13 2.332235084068E-13 2.422151802997E-13 | ||
4151 | 2514 | 2.515522720071E-13 2.612480157986E-13 2.713161495444E-13 2.817709359778E-13 | ||
4152 | 2515 | 2.926271826893E-13 3.039002628792E-13 3.156061368970E-13 3.277613745982E-13 | ||
4153 | 2516 | 3.403831785486E-13 3.534894081075E-13 3.670986044243E-13 3.812300163817E-13 | ||
4154 | 2517 | 3.959036275219E-13 4.111401839913E-13 4.269612235446E-13 4.433891056451E-13 | ||
4155 | 2518 | 4.604470427045E-13 4.781591325042E-13 4.965503918419E-13 5.156467914508E-13 | ||
4156 | 2519 | 5.354752922373E-13 5.560638828885E-13 5.774416188990E-13 5.996386630713E-13 | ||
4157 | 2520 | 6.226863275442E-13 6.466171174067E-13 6.714647759563E-13 6.972643316637E-13 | ||
4158 | 2521 | 7.240521469058E-13 7.518659685358E-13 7.807449803556E-13 8.107298575635E-13 | ||
4159 | 2522 | 8.418628232504E-13 8.741877070191E-13 9.077500058073E-13 9.425969469955E-13 | ||
4160 | 2523 | 9.787775538837E-13 1.016342713626E-12 1.055345247713E-12 1.095839985096E-12 | ||
4161 | 2524 | 1.137883838054E-12 1.181535880894E-12 1.226857431611E-12 1.273912136588E-12 | ||
4162 | 2525 | 1.322766058468E-12 1.373487767317E-12 1.426148435176E-12 1.480821934155E-12 | ||
4163 | 2526 | 1.537584938176E-12 1.596517028513E-12 1.657700803260E-12 1.721221990873E-12 | ||
4164 | 2527 | 1.787169567937E-12 1.855635881305E-12 1.926716774774E-12 2.000511720466E-12 | ||
4165 | 2528 | 2.077123955072E-12 2.156660621147E-12 2.239232913635E-12 2.324956231812E-12 | ||
4166 | 2529 | 2.413950336839E-12 2.506339515140E-12 2.602252747794E-12 2.701823886174E-12 | ||
4167 | 2530 | 2.805191834052E-12 2.912500736393E-12 3.023900175089E-12 3.139545371872E-12 | ||
4168 | 2531 | 3.259597398666E-12 3.384223395633E-12 3.513596797198E-12 3.647897566325E-12 | ||
4169 | 2532 | 3.787312437340E-12 3.932035167598E-12 4.082266798303E-12 4.238215924809E-12 | ||
4170 | 2533 | 4.400098976725E-12 4.568140508165E-12 4.742573498501E-12 4.923639663978E-12 | ||
4171 | 2534 | 5.111589780566E-12 5.306684018439E-12 5.509192288474E-12 5.719394601186E-12 | ||
4172 | 2535 | 5.937581438521E-12 6.164054138942E-12 6.399125296261E-12 6.643119172676E-12 | ||
4173 | 2536 | 6.896372126499E-12 7.159233055051E-12 7.432063853248E-12 7.715239888381E-12 | ||
4174 | 2537 | 8.009150491641E-12 8.314199466928E-12 8.630805617510E-12 8.959403291129E-12 | ||
4175 | 2538 | 9.300442944127E-12 9.654391725228E-12 1.002173407959E-11 1.040297237380E-11 | ||
4176 | 2539 | 1.079862754242E-11 1.120923975684E-11 1.163536911705E-11 1.207759636718E-11 | ||
4177 | 2540 | 1.253652363533E-11 1.301277519866E-11 1.350699827436E-11 1.401986383734E-11 | ||
4178 | 2541 | 1.455206746545E-11 1.510433021303E-11 1.567739951357E-11 1.627205011249E-11 | ||
4179 | 2542 | 1.688908503071E-11 1.752933656006E-11 1.819366729135E-11 1.888297117601E-11 | ||
4180 | 2543 | 1.959817462225E-11 2.034023762676E-11 2.111015494275E-11 2.190895728545E-11 | ||
4181 | 2544 | 2.273771257598E-11 2.359752722460E-11 2.448954745441E-11 2.541496066637E-11 | ||
4182 | 2545 | 2.637499684685E-11 2.737093001855E-11 2.840407973604E-11 2.947581262673E-11 | ||
4183 | 2546 | 3.058754397852E-11 3.174073937499E-11 3.293691637935E-11 3.417764626799E-11 | ||
4184 | 2547 | 3.546455581481E-11 3.679932912731E-11 3.818370953538E-11 3.961950153383E-11 | ||
4185 | 2548 | 4.110857277967E-11 4.265285614499E-11 4.425435182640E-11 4.591512951203E-11 | ||
4186 | 2549 | 4.763733060671E-11 4.942317051641E-11 5.127494099253E-11 5.319501253684E-11 | ||
4187 | 2550 | 5.518583686778E-11 5.724994944862E-11 5.938997207821E-11 6.160861554461E-11 | ||
4188 | 2551 | 6.390868234217E-11 6.629306945234E-11 6.876477118835E-11 7.132688210412E-11 | ||
4189 | 2552 | 7.398259996721E-11 7.673522879598E-11 7.958818196055E-11 8.254498534755E-11 | ||
4190 | 2553 | 8.560928058790E-11 8.878482834743E-11 9.207551167935E-11 9.548533943787E-11 | ||
4191 | 2554 | 9.901844975196E-11 1.026791135582E-10 1.064717381909E-10 1.104008710291E-10 | ||
4192 | 2555 | 1.144712031975E-10 1.186875733200E-10 1.230549713248E-10 1.275785422969E-10 | ||
4193 | 2556 | 1.322635903772E-10 1.371155827058E-10 1.421401534049E-10 1.473431076009E-10 | ||
4194 | 2557 | 1.527304254807E-10 1.583082663802E-10 1.640829729011E-10 1.700610750525E-10 | ||
4195 | 2558 | 1.762492944147E-10 1.826545483200E-10 1.892839540484E-10 1.961448330339E-10 | ||
4196 | 2559 | 2.032447150775E-10 2.105913425638E-10 2.181926746778E-10 2.260568916184E-10 | ||
4197 | 2560 | 2.341923988060E-10 2.426078310815E-10 2.513120568935E-10 2.603141824744E-10 | ||
4198 | 2561 | 2.696235560017E-10 2.792497717452E-10 2.892026742015E-10 2.994923622159E-10 | ||
4199 | 2562 | 3.101291930945E-10 3.211237867115E-10 3.324870296160E-10 3.442300791458E-10 | ||
4200 | 2563 | 3.563643675568E-10 3.689016061796E-10 3.818537896164E-10 3.952331999935E-10 | ||
4201 | 2564 | 4.090524112888E-10 4.233242937563E-10 4.380620184718E-10 4.532790620293E-10 | ||
4202 | 2565 | 4.689892114213E-10 4.852065691391E-10 5.019455585354E-10 5.192209294962E-10 | ||
4203 | 2566 | 5.370477644728E-10 5.554414849321E-10 5.744178582882E-10 5.939930053845E-10 | ||
4204 | 2567 | 6.141834086019E-10 6.350059206764E-10 6.564777743130E-10 6.786165926943E-10 | ||
4205 | 2568 | 7.014404009854E-10 7.249676389456E-10 7.492171747632E-10 7.742083202385E-10 | ||
4206 | 2569 | 7.999608474436E-10 8.264950069965E-10 8.538315480899E-10 8.819917404237E-10 | ||
4207 | 2570 | 9.109973981880E-10 9.408709062538E-10 9.716352487223E-10 1.003314039990E-09 | ||
4208 | 2571 | 1.035931558481E-09 1.069512783191E-09 1.104083433195E-09 1.139670010236E-09 | ||
4209 | 2572 | 1.176299844526E-09 1.214001143855E-09 1.252803046097E-09 1.292735675169E-09 | ||
4210 | 2573 | 1.333830200466E-09 1.376118899784E-09 1.419635225669E-09 1.464413875117E-09 | ||
4211 | 2574 | 1.510490862482E-09 1.557903595388E-09 1.606690953401E-09 1.656893369121E-09 | ||
4212 | 2575 | 1.708552911297E-09 1.761713369483E-09 1.816420339675E-09 1.872721310266E-09 | ||
4213 | 2576 | 1.930665747591E-09 1.990305180237E-09 2.051693281192E-09 2.114885946863E-09 | ||
4214 | 2577 | 2.179941371907E-09 2.246920118761E-09 2.315885180764E-09 2.386902037725E-09 | ||
4215 | 2578 | 2.460038702870E-09 2.535365760172E-09 2.612956391222E-09 2.692886391021E-09 | ||
4216 | 2579 | 2.775234172390E-09 2.860080759075E-09 2.947509768174E-09 3.037607383122E-09 | ||
4217 | 2580 | 3.130462319254E-09 3.226165784857E-09 3.324811441669E-09 3.426495369906E-09 | ||
4218 | 2581 | 3.531316044116E-09 3.639374327387E-09 3.750773492564E-09 3.865619280050E-09 | ||
4219 | 2582 | 3.984020002210E-09 4.106086704163E-09 4.231933389313E-09 4.361677314927E-09 | ||
4220 | 2583 | 4.495439357537E-09 4.633344439120E-09 4.775521991466E-09 4.922106409860E-09 | ||
4221 | 2584 | 5.073237423288E-09 5.229060344726E-09 5.389725989512E-09 5.555390183672E-09 | ||
4222 | 2585 | 5.726213906859E-09 5.902363584493E-09 6.084011091075E-09 6.271334023031E-09 | ||
4223 | 2586 | 6.464515849077E-09 6.663746110897E-09 6.869220618026E-09 7.081141650927E-09 | ||
4224 | 2587 | 7.299718170075E-09 7.525166031550E-09 7.757708209355E-09 7.997575024672E-09 | ||
4225 | 2588 | 8.245004382303E-09 8.500242014554E-09 8.763541732814E-09 9.035165687103E-09 | ||
4226 | 2589 | 9.315384633894E-09 9.604478212483E-09 9.902735230249E-09 1.021045395711E-08 | ||
4227 | 2590 | 1.052794242954E-08 1.085551876452E-08 1.119351148372E-08 1.154225984848E-08 | ||
4228 | 2591 | 1.190211420581E-08 1.227343634598E-08 1.265659987213E-08 1.305199058236E-08 | ||
4229 | 2592 | 1.346000686477E-08 1.388106010615E-08 1.431557511460E-08 1.476399055693E-08 | ||
4230 | 2593 | 1.522675941127E-08 1.570434943562E-08 1.619724365299E-08 1.670594085384E-08 | ||
4231 | 2594 | 1.723095611649E-08 1.777282134642E-08 1.833208583513E-08 1.890931683945E-08 | ||
4232 | 2595 | 1.950510018225E-08 2.012004087542E-08 2.075476376609E-08 2.140991420714E-08 | ||
4233 | 2596 | 2.208615875314E-08 2.278418588264E-08 2.350470674825E-08 2.424845595551E-08 | ||
4234 | 2597 | 2.501619237199E-08 2.580869996787E-08 2.662678868948E-08 2.747129536722E-08 | ||
4235 | 2598 | 2.834308465944E-08 2.924305003386E-08 3.017211478822E-08 3.113123311199E-08 | ||
4236 | 2599 | 3.212139119085E-08 3.314360835596E-08 3.419893828002E-08 3.528847022221E-08 | ||
4237 | 2600 | 3.641333032414E-08 3.757468295923E-08 3.877373213776E-08 4.001172297021E-08 | ||
4238 | 2601 | 4.128994319144E-08 4.260972474835E-08 4.397244545404E-08 4.537953071119E-08 | ||
4239 | 2602 | 4.683245530795E-08 4.833274528943E-08 4.988197990814E-08 5.148179365691E-08 | ||
4240 | 2603 | 5.313387838794E-08 5.483998552164E-08 5.660192834939E-08 5.842158443412E-08 | ||
4241 | 2604 | 6.030089811319E-08 6.224188310777E-08 6.424662524358E-08 6.631728528763E-08 | ||
4242 | 2605 | 6.845610190604E-08 7.066539474811E-08 7.294756766201E-08 7.530511204779E-08 | ||
4243 | 2606 | 7.774061035342E-08 8.025673972001E-08 8.285627578241E-08 8.554209663183E-08 | ||
4244 | 2607 | 8.831718694703E-08 9.118464230139E-08 9.414767365285E-08 9.720961202442E-08 | ||
4245 | 2608 | 1.003739133831E-07 1.036441637252E-07 1.070240843764E-07 1.105175375156E-07 | ||
4246 | 2609 | 1.141285319310E-07 1.178612290184E-07 1.217199490300E-07 1.257091775860E-07 | ||
4247 | 2610 | 1.298335724567E-07 1.340979706276E-07 1.385073956574E-07 1.430670653410E-07 | ||
4248 | 2611 | 1.477823996889E-07 1.526590292349E-07 1.577028036850E-07 1.629198009204E-07 | ||
4249 | 2612 | 1.683163363677E-07 1.738989727499E-07 1.796745302330E-07 1.856500969821E-07 | ||
4250 | 2613 | 1.918330401432E-07 1.982310172642E-07 2.048519881737E-07 2.117042273323E-07 | ||
4251 | 2614 | 2.187963366738E-07 2.261372589550E-07 2.337362916300E-07 2.416031012703E-07 | ||
4252 | 2615 | 2.497477385473E-07 2.581806537995E-07 2.669127132031E-07 2.759552155673E-07 | ||
4253 | 2616 | 2.853199097774E-07 2.950190129059E-07 3.050652290167E-07 3.154717686853E-07 | ||
4254 | 2617 | 3.262523692594E-07 3.374213158862E-07 3.489934633315E-07 3.609842586185E-07 | ||
4255 | 2618 | 3.734097645143E-07 3.862866838921E-07 3.996323850007E-07 4.134649276700E-07 | ||
4256 | 2619 | 4.278030904867E-07 4.426663989718E-07 4.580751547956E-07 4.740504660637E-07 | ||
4257 | 2620 | 4.906142787139E-07 5.077894090593E-07 5.255995775195E-07 5.440694435800E-07 | ||
4258 | 2621 | 5.632246420229E-07 5.830918204742E-07 6.036986783128E-07 6.250740069908E-07 | ||
4259 | 2622 | 6.472477318136E-07 6.702509552341E-07 6.941160017136E-07 7.188764642076E-07 | ||
4260 | 2623 | 7.445672523342E-07 7.712246422881E-07 7.988863285637E-07 8.275914775547E-07 | ||
4261 | 2624 | 8.573807830998E-07 8.882965240484E-07 9.203826239214E-07 9.536847127474E-07 | ||
4262 | 2625 | 9.882501911577E-07 1.024128296826E-06 1.061370173341E-06 1.100028941618E-06 | ||
4263 | 2626 | 1.140159773926E-06 1.181819970654E-06 1.225069039920E-06 1.269968780120E-06 | ||
4264 | 2627 | 1.316583365555E-06 1.364979435243E-06 1.415226185045E-06 1.467395463248E-06 | ||
4265 | 2628 | 1.521561869726E-06 1.577802858843E-06 1.636198846223E-06 1.696833319568E-06 | ||
4266 | 2629 | 1.759792953674E-06 1.825167729807E-06 1.893051059632E-06 1.963539913862E-06 | ||
4267 | 2630 | 2.036734955832E-06 2.112740680175E-06 2.191665556827E-06 2.273622180561E-06 | ||
4268 | 2631 | 2.358727426278E-06 2.447102610271E-06 2.538873657728E-06 2.634171276688E-06 | ||
4269 | 2632 | 2.733131138733E-06 2.835894066672E-06 2.942606229486E-06 3.053419344840E-06 | ||
4270 | 2633 | 3.168490889433E-06 3.287984317518E-06 3.412069287897E-06 3.540921899717E-06 | ||
4271 | 2634 | 3.674724937432E-06 3.813668125252E-06 3.957948391480E-06 4.107770143093E-06 | ||
4272 | 2635 | 4.263345550976E-06 4.424894846210E-06 4.592646627842E-06 4.766838182573E-06 | ||
4273 | 2636 | 4.947715816817E-06 5.135535201614E-06 5.330561730864E-06 5.533070893408E-06 | ||
4274 | 2637 | 5.743348659476E-06 5.961691882034E-06 6.188408713610E-06 6.423819039177E-06 | ||
4275 | 2638 | 6.668254925699E-06 6.922061088966E-06 7.185595378384E-06 7.459229280377E-06 | ||
4276 | 2639 | 7.743348441123E-06 8.038353209339E-06 8.344659199882E-06 8.662697878941E-06 | ||
4277 | 2640 | 8.992917171645E-06 9.335782092931E-06 9.691775402539E-06 1.006139828507E-05 | ||
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4279 | 2642 | 1.213287875799E-05 1.259592819538E-05 1.307669423349E-05 1.357585327362E-05 | ||
4280 | 2643 | 1.409410755866E-05 1.463218616219E-05 1.519084601541E-05 1.577087297317E-05 | ||
4281 | 2644 | 1.637308292068E-05 1.699832292248E-05 1.764747241517E-05 1.832144444561E-05 | ||
4282 | 2645 | 1.902118695648E-05 1.974768412069E-05 2.050195772688E-05 2.128506861760E-05 | ||
4283 | 2646 | 2.209811818254E-05 2.294224990854E-05 2.381865098895E-05 2.472855399422E-05 | ||
4284 | 2647 | 2.567323860638E-05 2.665403341964E-05 2.767231780977E-05 2.872952387486E-05 | ||
4285 | 2648 | 2.982713845007E-05 3.096670519946E-05 3.214982678756E-05 3.337816713391E-05 | ||
4286 | 2649 | 3.465345375379E-05 3.597748018818E-05 3.735210852666E-05 3.877927202665E-05 | ||
4287 | 2650 | 4.026097783266E-05 4.179930979947E-05 4.339643142313E-05 4.505458888394E-05 | ||
4288 | 2651 | 4.677611420574E-05 4.856342853579E-05 5.041904555010E-05 5.234557498876E-05 | ||
4289 | 2652 | 5.434572632648E-05 5.642231258322E-05 5.857825428059E-05 6.081658354932E-05 | ||
4290 | 2653 | 6.314044839373E-05 6.555311711916E-05 6.805798292855E-05 7.065856869471E-05 | ||
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4294 | 2657 | 1.150487560484E-04 1.194449967434E-04 1.240092290308E-04 1.287478721449E-04 | ||
4295 | 2658 | 1.336675906162E-04 1.387753036443E-04 1.440781948296E-04 1.495837222758E-04 | ||
4296 | 2659 | 1.552996290797E-04 1.612339542207E-04 1.673950438674E-04 1.737915631153E-04 | ||
4297 | 2660 | 1.804325081739E-04 1.873272190190E-04 1.944853925286E-04 2.019170961205E-04 | ||
4298 | 2661 | 2.096327819117E-04 2.176433014182E-04 2.259599208168E-04 2.345943367899E-04 | ||
4299 | 2662 | 2.435586929762E-04 2.528655970493E-04 2.625281384500E-04 2.725599067946E-04 | ||
4300 | 2663 | 2.829750109886E-04 2.937880990688E-04 3.050143788052E-04 3.166696390891E-04 | ||
4301 | 2664 | 3.287702721391E-04 3.413332965551E-04 3.543763812540E-04 3.679178703192E-04 | ||
4302 | 2665 | 3.819768088002E-04 3.965729694978E-04 4.117268807731E-04 4.274598554188E-04 | ||
4303 | 2666 | 4.437940206338E-04 4.607523491435E-04 4.783586915090E-04 4.966378096708E-04 | ||
4304 | 2667 | 5.156154117745E-04 5.353181883274E-04 5.557738497361E-04 5.770111652791E-04 | ||
4305 | 2668 | 5.990600035686E-04 6.219513745580E-04 6.457174731549E-04 6.703917245006E-04 | ||
4306 | 2669 | 6.960088309797E-04 7.226048210264E-04 7.502170997952E-04 7.788845017685E-04 | ||
4307 | 2670 | 8.086473453737E-04 8.395474896879E-04 8.716283933097E-04 9.049351754791E-04 | ||
4308 | 2671 | 9.395146795350E-04 9.754155387959E-04 1.012688244959E-03 1.051385219112E-03 | ||
4309 | 2672 | 1.091560885459E-03 1.133271747866E-03 1.176576469324E-03 1.221535954459E-03 | ||
4310 | 2673 | 1.268213435186E-03 1.316674559641E-03 1.366987484507E-03 1.419222970875E-03 | ||
4311 | 2674 | 1.473454483760E-03 1.529758295425E-03 1.588213592651E-03 1.648902588109E-03 | ||
4312 | 2675 | 1.711910635980E-03 1.777326352004E-03 1.845241738108E-03 1.915752311799E-03 | ||
4313 | 2676 | 1.988957240504E-03 1.881872510267E-03 1.858495451554E-03 1.835408788886E-03 | ||
4314 | 2677 | 1.812608914860E-03 1.790092266895E-03 | ||
4315 | 2678 | </data> | ||
4316 | 2679 | </radfunc> | ||
4317 | 2680 | </pswf> | ||
4318 | 2681 | </pseudo-wave-functions> | ||
4319 | 2682 | |||
4320 | 2683 | <local-potential type="siesta-charge"> | ||
4321 | 2684 | <annotation chlocal-cutoff="1.37758720356" /> | ||
4322 | 2685 | <grid npts="238"> | ||
4323 | 2686 | <annotation type="linear" drl="0.100000000000E-01" /> | ||
4324 | 2687 | <grid-data> | ||
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4384 | 2747 | 2.360000000000E+00 2.370000000000E+00 | ||
4385 | 2748 | </grid-data> | ||
4386 | 2749 | </grid> | ||
4387 | 2750 | <radfunc> | ||
4388 | 2751 | <data> | ||
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4448 | 2811 | -2.542372881356E+00 -2.531645569620E+00 | ||
4449 | 2812 | </data> | ||
4450 | 2813 | </radfunc> | ||
4451 | 2814 | <local-charge> | ||
4452 | 2815 | <radfunc> | ||
4453 | 2816 | <data> | ||
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4505 | 2868 | 7.824149018148E-45 4.586931810546E-45 1.534660162052E-48 2.427491926029E-48 | ||
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4513 | 2876 | 0.000000000000E+00 0.000000000000E+00 | ||
4514 | 2877 | </data> | ||
4515 | 2878 | </radfunc> | ||
4516 | 2879 | </local-charge> | ||
4517 | 2880 | </local-potential> | ||
4518 | 2881 | <nonlocal-projectors set="non_relativistic"> | ||
4519 | 2882 | <grid npts="238"> | ||
4520 | 2883 | <annotation type="linear" drl="0.100000000000E-01" /> | ||
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4582 | 2945 | </grid-data> | ||
4583 | 2946 | </grid> | ||
4584 | 2947 | <proj l="s" seq="1" ekb="4.56795135673" type="KB"> | ||
4585 | 2948 | <radfunc> | ||
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4620 | 2983 | 7.095709920754E-08 -1.203071859182E-08 -1.058684350797E-08 2.273417365881E-09 | ||
4621 | 2984 | 1.949453798975E-10 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4622 | 2985 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4623 | 2986 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4624 | 2987 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4625 | 2988 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4626 | 2989 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4627 | 2990 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
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4629 | 2992 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4630 | 2993 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4631 | 2994 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4632 | 2995 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4633 | 2996 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4634 | 2997 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4635 | 2998 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4636 | 2999 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4637 | 3000 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4638 | 3001 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4639 | 3002 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4640 | 3003 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4641 | 3004 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4642 | 3005 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4643 | 3006 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4644 | 3007 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4645 | 3008 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4646 | 3009 | 0.000000000000E+00 0.000000000000E+00 | ||
4647 | 3010 | </data> | ||
4648 | 3011 | </radfunc> | ||
4649 | 3012 | </proj> | ||
4650 | 3013 | <proj l="p" seq="1" ekb="-4.06243908837" type="KB"> | ||
4651 | 3014 | <radfunc> | ||
4652 | 3015 | <data> | ||
4653 | 3016 | 1.879043947106E-07 -1.941374769894E-01 -3.880661088987E-01 -5.815779269490E-01 | ||
4654 | 3017 | -7.744662008665E-01 -9.665248853193E-01 -1.157546941937E+00 -1.347321544015E+00 | ||
4655 | 3018 | -1.535630358906E+00 -1.722243229185E+00 -1.906913628404E+00 -2.089374261029E+00 | ||
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4660 | 3023 | -4.462854331629E+00 -4.531279655504E+00 -4.588689042913E+00 -4.634736455834E+00 | ||
4661 | 3024 | -4.669133185427E+00 -4.691653302613E+00 -4.702138360272E+00 -4.700501259089E+00 | ||
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4666 | 3029 | -3.086543821582E+00 -2.931328768668E+00 -2.774266891658E+00 -2.616165066428E+00 | ||
4667 | 3030 | -2.457808827161E+00 -2.299956470378E+00 -2.143333732690E+00 -1.988629089438E+00 | ||
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4674 | 3037 | 2.022746665757E-01 2.161251420381E-01 2.258131384847E-01 2.316419891098E-01 | ||
4675 | 3038 | 2.339230261361E-01 2.329740478312E-01 2.291178082992E-01 2.226805019333E-01 | ||
4676 | 3039 | 2.139902132233E-01 2.033753022436E-01 1.911626966590E-01 1.776760624135E-01 | ||
4677 | 3040 | 1.632338274585E-01 1.481470358191E-01 1.327170129895E-01 1.172328279365E-01 | ||
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4679 | 3042 | 4.789393487175E-02 3.709483266640E-02 2.766363920435E-02 1.967457381793E-02 | ||
4680 | 3043 | 1.315757025148E-02 8.093575849920E-03 4.411317176301E-03 1.981370695054E-03 | ||
4681 | 3044 | 6.037929166787E-04 2.765501201461E-05 -6.488668620585E-05 -4.462266420389E-05 | ||
4682 | 3045 | -3.459242655088E-05 -2.615137230152E-05 -1.993161025127E-05 -1.435739135326E-05 | ||
4683 | 3046 | -1.057167766652E-05 -7.771882053246E-06 -5.711358564620E-06 -4.201354161572E-06 | ||
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4686 | 3049 | 5.727973227572E-08 -9.714630618685E-09 -8.548332015062E-09 1.836716902984E-09 | ||
4687 | 3050 | 1.574983457899E-10 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
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4700 | 3063 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4701 | 3064 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4702 | 3065 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
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4705 | 3068 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4706 | 3069 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4707 | 3070 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4708 | 3071 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4709 | 3072 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4710 | 3073 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4711 | 3074 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4712 | 3075 | 0.000000000000E+00 0.000000000000E+00 | ||
4713 | 3076 | </data> | ||
4714 | 3077 | </radfunc> | ||
4715 | 3078 | </proj> | ||
4716 | 3079 | <proj l="d" seq="1" ekb="-1.01963349497" type="KB"> | ||
4717 | 3080 | <radfunc> | ||
4718 | 3081 | <data> | ||
4719 | 3082 | 3.401453024798E-08 -1.380754772578E-03 -5.526262392007E-03 -1.244659173182E-02 | ||
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4742 | 3105 | 1.349461178155E-01 1.679521746947E-01 1.930694902882E-01 2.105973597488E-01 | ||
4743 | 3106 | 2.209341120578E-01 2.245756145987E-01 2.221119744737E-01 2.142221703283E-01 | ||
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4745 | 3108 | 1.221581473313E-01 9.961154360916E-02 7.785497567972E-02 5.773490648900E-02 | ||
4746 | 3109 | 3.999272198311E-02 2.521910136084E-02 1.380760829828E-02 5.891781155919E-03 | ||
4747 | 3110 | 1.262532496712E-03 -6.489678866920E-04 -8.404316854658E-04 -6.347381373467E-04 | ||
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4752 | 3115 | -7.080856964416E-06 -5.791271876756E-06 -4.780768228338E-06 -3.978519669872E-06 | ||
4753 | 3116 | -3.333396777148E-06 -2.808368953956E-06 -2.376517700316E-06 -2.018044710842E-06 | ||
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4756 | 3119 | 5.068764123758E-08 -1.557123245789E-08 -9.616490683229E-09 2.111419561395E-09 | ||
4757 | 3120 | 8.781318607354E-10 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4758 | 3121 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4759 | 3122 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
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4770 | 3133 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
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4778 | 3141 | 0.000000000000E+00 0.000000000000E+00 | ||
4779 | 3142 | </data> | ||
4780 | 3143 | </radfunc> | ||
4781 | 3144 | </proj> | ||
4782 | 3145 | <proj l="f" seq="1" ekb="-0.399569306209" type="KB"> | ||
4783 | 3146 | <radfunc> | ||
4784 | 3147 | <data> | ||
4785 | 3148 | -5.098473971829E-08 1.784151613873E-06 1.403004103745E-05 4.595578304561E-05 | ||
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4800 | 3163 | -2.835530245283E+00 -2.880766532699E+00 -2.916195689568E+00 -2.941330229273E+00 | ||
4801 | 3164 | -2.955755415661E+00 -2.959135646828E+00 -2.951220291535E+00 -2.931848907340E+00 | ||
4802 | 3165 | -2.900955771273E+00 -2.858573655825E+00 -2.804836784897E+00 -2.739982906588E+00 | ||
4803 | 3166 | -2.664354421540E+00 -2.578398508011E+00 -2.482666187112E+00 -2.377810274657E+00 | ||
4804 | 3167 | -2.264582169122E+00 -2.143827429242E+00 -2.016480099516E+00 -1.883555747906E+00 | ||
4805 | 3168 | -1.746143187174E+00 -1.605394860362E+00 -1.462515881992E+00 -1.318751740030E+00 | ||
4806 | 3169 | -1.175374679748E+00 -1.033668810008E+00 -8.949139954863E-01 -7.603686250680E-01 | ||
4807 | 3170 | -6.312513775793E-01 -5.087221420479E-01 -3.938622900807E-01 -2.876545439063E-01 | ||
4808 | 3171 | -1.909627351863E-01 -1.045118057946E-01 -2.886846574192E-02 3.557700891524E-02 | ||
4809 | 3172 | 8.862728084024E-02 1.302921214267E-01 1.607995219891E-01 1.806029308204E-01 | ||
4810 | 3173 | 1.903837068300E-01 1.910477721602E-01 1.837153437077E-01 1.697025081030E-01 | ||
4811 | 3174 | 1.504932815781E-01 1.277006873652E-01 1.030153619723E-01 7.813981723984E-02 | ||
4812 | 3175 | 5.469209114451E-02 3.420856223323E-02 1.770545075049E-02 5.600007578210E-03 | ||
4813 | 3176 | -1.084539134332E-03 -3.203250197230E-03 -3.034353368426E-03 -2.357760960331E-03 | ||
4814 | 3177 | -1.817295294919E-03 -1.399502357143E-03 -1.074088152122E-03 -8.162704797352E-04 | ||
4815 | 3178 | -6.201406239080E-04 -4.701734958469E-04 -3.561598574142E-04 -2.699297994599E-04 | ||
4816 | 3179 | -2.050044697955E-04 -1.562928595047E-04 -1.198316089564E-04 -9.256379925597E-05 | ||
4817 | 3180 | -7.215329526384E-05 -5.683105775925E-05 -4.526946648425E-05 -3.648057956013E-05 | ||
4818 | 3181 | -2.973491342431E-05 -2.449775435320E-05 -2.037929317054E-05 -1.709664351280E-05 | ||
4819 | 3182 | -1.444486575429E-05 -1.227529731957E-05 -1.047990084956E-05 -8.979408397874E-06 | ||
4820 | 3183 | -7.715129377912E-06 -6.642874109037E-06 -5.728800212176E-06 -4.946612952951E-06 | ||
4821 | 3184 | -4.275416313550E-06 -3.698246261773E-06 -3.201136331269E-06 -2.772652918431E-06 | ||
4822 | 3185 | -2.402967878643E-06 -2.083338178542E-06 -1.807625689827E-06 -1.572839106895E-06 | ||
4823 | 3186 | -1.369981461426E-06 -1.182054163889E-06 -1.034300035029E-06 -9.587573138712E-07 | ||
4824 | 3187 | -8.050181753795E-07 -4.138187000023E-07 -2.046729705656E-08 7.745453020753E-08 | ||
4825 | 3188 | 5.498268227023E-09 -1.801817360525E-08 -1.783725386356E-09 2.217897347525E-09 | ||
4826 | 3189 | 3.543703976679E-10 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4827 | 3190 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4828 | 3191 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4829 | 3192 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4830 | 3193 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4831 | 3194 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4832 | 3195 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4833 | 3196 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4834 | 3197 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4835 | 3198 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4836 | 3199 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4837 | 3200 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4838 | 3201 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4839 | 3202 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4840 | 3203 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4841 | 3204 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4842 | 3205 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4843 | 3206 | 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 | ||
4844 | 3207 | 0.000000000000E+00 0.000000000000E+00 | ||
4845 | 3208 | </data> | ||
4846 | 3209 | </radfunc> | ||
4847 | 3210 | </proj> | ||
4848 | 3211 | </nonlocal-projectors> | ||
4849 | 3212 | </psml> | ||
4850 | 0 | 3213 | ||
4851 | === added file 'Tests/Pseudos/O.tm2.psml' | |||
4852 | --- Tests/Pseudos/O.tm2.psml 1970-01-01 00:00:00 +0000 | |||
4853 | +++ Tests/Pseudos/O.tm2.psml 2017-02-15 10:54:34 +0000 | |||
4854 | @@ -0,0 +1,2677 @@ | |||
4855 | 1 | <?xml version="1.0" encoding="UTF-8" ?> | ||
4856 | 2 | <psml version="1.0" energy_unit="hartree" length_unit="bohr" | ||
4857 | 3 | uuid="797d2750-e8a2-11e6-6686-48a1bdef027e"> | ||
4858 | 4 | <provenance creator="ATM4.1.0+rev-87" date=" 1-FEB-17"> | ||
4859 | 5 | <input-file name="INP"> | ||
4860 | 6 | <![CDATA[ pg Oxygen | ||
4861 | 7 | tm2 2.0 | ||
4862 | 8 | n=O c=ca | ||
4863 | 9 | 0.0 0.0 0.0 0.0 0.0 0.0 | ||
4864 | 10 | 1 4 | ||
4865 | 11 | 2 0 2.00 0.00 | ||
4866 | 12 | 2 1 4.00 0.00 | ||
4867 | 13 | 3 2 0.00 0.00 | ||
4868 | 14 | 4 3 0.00 0.00 | ||
4869 | 15 | 1.15 1.15 1.15 1.15 | ||
4870 | 16 | ]]> | ||
4871 | 17 | </input-file> | ||
4872 | 18 | </provenance> | ||
4873 | 19 | <header atomic-label="O" atomic-number="8" z-pseudo="6" | ||
4874 | 20 | flavor="Troullier-Martins" relativity="no" polarized="no" core-corrections="no"> | ||
4875 | 21 | <exchange-correlation> | ||
4876 | 22 | <annotation atom-xc-code="ca" siesta-xc-type="LDA" siesta-xc-authors="CA" /> | ||
4877 | 23 | <libxc-info number-of-functionals="2"> | ||
4878 | 24 | <functional name="XC_LDA_X" type="XC_EXCHANGE" id="1" /> | ||
4879 | 25 | <functional name="XC_LDA_C_PZ" type="XC_CORRELATION" id="9" /> | ||
4880 | 26 | </libxc-info> | ||
4881 | 27 | </exchange-correlation> | ||
4882 | 28 | <valence-configuration total-valence-charge="6"> | ||
4883 | 29 | <shell n="2" l="s" occupation="2" /> | ||
4884 | 30 | <shell n="2" l="p" occupation="4" /> | ||
4885 | 31 | </valence-configuration> | ||
4886 | 32 | </header> | ||
4887 | 33 | <grid npts="1030"> | ||
4888 | 34 | <annotation type="log-atom" nrval="1030" scale="0.309844022083E-03" | ||
4889 | 35 | step="0.125000000000E-01" /> | ||
4890 | 36 | <grid-data> | ||
4891 | 37 | 0.000000000000E+00 3.897358016930E-06 7.843738762812E-06 1.183975886767E-05 | ||
4892 | 38 | 1.588604271777E-05 1.998322255320E-05 2.413193856664E-05 2.833283900341E-05 | ||
4893 | 39 | 3.258658026275E-05 3.689382700039E-05 4.125525223239E-05 4.567153744033E-05 | ||
4894 | 40 | 5.014337267774E-05 5.467145667798E-05 5.925649696339E-05 6.389920995584E-05 | ||
4895 | 41 | 6.860032108868E-05 7.336056492010E-05 7.818068524787E-05 8.306143522560E-05 | ||
4896 | 42 | 8.800357748041E-05 9.300788423208E-05 9.807513741372E-05 1.032061287940E-04 | ||
4897 | 43 | 1.084016601006E-04 1.136625431460E-04 1.189895999539E-04 1.243836628877E-04 | ||
4898 | 44 | 1.298455747807E-04 1.353761890678E-04 1.409763699187E-04 1.466469923730E-04 | ||
4899 | 45 | 1.523889424771E-04 1.582031174223E-04 1.640904256853E-04 1.700517871700E-04 | ||
4900 | 46 | 1.760881333512E-04 1.822004074204E-04 1.883895644327E-04 1.946565714567E-04 | ||
4901 | 47 | 2.010024077247E-04 2.074280647868E-04 2.139345466648E-04 2.205228700098E-04 | ||
4902 | 48 | 2.271940642607E-04 2.339491718053E-04 2.407892481428E-04 2.477153620490E-04 | ||
4903 | 49 | 2.547285957433E-04 2.618300450578E-04 2.690208196084E-04 2.763020429682E-04 | ||
4904 | 50 | 2.836748528431E-04 2.911404012499E-04 2.986998546954E-04 3.063543943598E-04 | ||
4905 | 51 | 3.141052162805E-04 3.219535315391E-04 3.299005664508E-04 3.379475627560E-04 | ||
4906 | 52 | 3.460957778144E-04 3.543464848010E-04 3.627009729056E-04 3.711605475339E-04 | ||
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4908 | 54 | 4.150815687720E-04 4.242000101871E-04 4.334331474757E-04 4.427824233343E-04 | ||
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4910 | 56 | 4.913226586988E-04 5.014000949689E-04 5.116042897829E-04 5.219368375669E-04 | ||
4911 | 57 | 5.323993528024E-04 5.429934702788E-04 5.537208453485E-04 5.645831541857E-04 | ||
4912 | 58 | 5.755820940482E-04 5.867193835428E-04 5.979967628936E-04 6.094159942140E-04 | ||
4913 | 59 | 6.209788617822E-04 6.326871723199E-04 6.445427552742E-04 6.565474631042E-04 | ||
4914 | 60 | 6.687031715699E-04 6.810117800255E-04 6.934752117161E-04 7.060954140782E-04 | ||
4915 | 61 | 7.188743590442E-04 7.318140433502E-04 7.449164888481E-04 7.581837428219E-04 | ||
4916 | 62 | 7.716178783068E-04 7.852209944139E-04 7.989952166577E-04 8.129426972886E-04 | ||
4917 | 63 | 8.270656156287E-04 8.413661784127E-04 8.558466201327E-04 8.705092033872E-04 | ||
4918 | 64 | 8.853562192346E-04 9.003899875514E-04 9.156128573944E-04 9.310272073681E-04 | ||
4919 | 65 | 9.466354459959E-04 9.624400120969E-04 9.784433751668E-04 9.946480357635E-04 | ||
4920 | 66 | 1.011056525898E-03 1.027671409431E-03 1.044495282471E-03 1.061530773783E-03 | ||
4921 | 67 | 1.078780545197E-03 1.096247292025E-03 1.113933743481E-03 1.131842663110E-03 | ||
4922 | 68 | 1.149976849216E-03 1.168339135304E-03 1.186932390517E-03 1.205759520090E-03 | ||
4923 | 69 | 1.224823465800E-03 1.244127206428E-03 1.263673758221E-03 1.283466175369E-03 | ||
4924 | 70 | 1.303507550477E-03 1.323801015050E-03 1.344349739984E-03 1.365156936059E-03 | ||
4925 | 71 | 1.386225854442E-03 1.407559787193E-03 1.429162067784E-03 1.451036071614E-03 | ||
4926 | 72 | 1.473185216542E-03 1.495612963415E-03 1.518322816616E-03 1.541318324605E-03 | ||
4927 | 73 | 1.564603080476E-03 1.588180722521E-03 1.612054934794E-03 1.636229447689E-03 | ||
4928 | 74 | 1.660708038524E-03 1.685494532126E-03 1.710592801437E-03 1.736006768113E-03 | ||
4929 | 75 | 1.761740403137E-03 1.787797727442E-03 1.814182812538E-03 1.840899781148E-03 | ||
4930 | 76 | 1.867952807853E-03 1.895346119744E-03 1.923083997081E-03 1.951170773964E-03 | ||
4931 | 77 | 1.979610839008E-03 2.008408636033E-03 2.037568664752E-03 2.067095481479E-03 | ||
4932 | 78 | 2.096993699840E-03 2.127267991491E-03 2.157923086853E-03 2.188963775847E-03 | ||
4933 | 79 | 2.220394908642E-03 2.252221396419E-03 2.284448212129E-03 2.317080391279E-03 | ||
4934 | 80 | 2.350123032714E-03 2.383581299412E-03 2.417460419297E-03 2.451765686050E-03 | ||
4935 | 81 | 2.486502459937E-03 2.521676168652E-03 2.557292308158E-03 2.593356443548E-03 | ||
4936 | 82 | 2.629874209918E-03 2.666851313242E-03 2.704293531269E-03 2.742206714420E-03 | ||
4937 | 83 | 2.780596786709E-03 2.819469746662E-03 2.858831668257E-03 2.898688701876E-03 | ||
4938 | 84 | 2.939047075261E-03 2.979913094490E-03 3.021293144961E-03 3.063193692392E-03 | ||
4939 | 85 | 3.105621283828E-03 3.148582548667E-03 3.192084199694E-03 3.236133034131E-03 | ||
4940 | 86 | 3.280735934697E-03 3.325899870686E-03 3.371631899055E-03 3.417939165527E-03 | ||
4941 | 87 | 3.464828905707E-03 3.512308446210E-03 3.560385205814E-03 3.609066696608E-03 | ||
4942 | 88 | 3.658360525175E-03 3.708274393776E-03 3.758816101555E-03 3.809993545755E-03 | ||
4943 | 89 | 3.861814722957E-03 3.914287730326E-03 3.967420766875E-03 4.021222134749E-03 | ||
4944 | 90 | 4.075700240522E-03 4.130863596509E-03 4.186720822095E-03 4.243280645087E-03 | ||
4945 | 91 | 4.300551903072E-03 4.358543544799E-03 4.417264631582E-03 4.476724338710E-03 | ||
4946 | 92 | 4.536931956882E-03 4.597896893662E-03 4.659628674944E-03 4.722136946446E-03 | ||
4947 | 93 | 4.785431475212E-03 4.849522151141E-03 4.914418988532E-03 4.980132127646E-03 | ||
4948 | 94 | 5.046671836297E-03 5.114048511448E-03 5.182272680843E-03 5.251355004646E-03 | ||
4949 | 95 | 5.321306277111E-03 5.392137428268E-03 5.463859525627E-03 5.536483775912E-03 | ||
4950 | 96 | 5.610021526809E-03 5.684484268743E-03 5.759883636668E-03 5.836231411888E-03 | ||
4951 | 97 | 5.913539523900E-03 5.991820052252E-03 6.071085228436E-03 6.151347437798E-03 | ||
4952 | 98 | 6.232619221471E-03 6.314913278336E-03 6.398242467008E-03 6.482619807841E-03 | ||
4953 | 99 | 6.568058484968E-03 6.654571848354E-03 6.742173415889E-03 6.830876875496E-03 | ||
4954 | 100 | 6.920696087272E-03 7.011645085650E-03 7.103738081597E-03 7.196989464830E-03 | ||
4955 | 101 | 7.291413806069E-03 7.387025859308E-03 7.483840564126E-03 7.581873048017E-03 | ||
4956 | 102 | 7.681138628755E-03 7.781652816791E-03 7.883431317670E-03 7.986490034490E-03 | ||
4957 | 103 | 8.090845070385E-03 8.196512731043E-03 8.303509527250E-03 8.411852177472E-03 | ||
4958 | 104 | 8.521557610470E-03 8.632642967941E-03 8.745125607198E-03 8.859023103882E-03 | ||
4959 | 105 | 8.974353254708E-03 9.091134080248E-03 9.209383827743E-03 9.329120973956E-03 | ||
4960 | 106 | 9.450364228061E-03 9.573132534562E-03 9.697445076257E-03 9.823321277233E-03 | ||
4961 | 107 | 9.950780805904E-03 1.007984357808E-02 1.021052976008E-02 1.034285977189E-02 | ||
4962 | 108 | 1.047685429034E-02 1.061253425234E-02 1.074992085818E-02 1.088903557477E-02 | ||
4963 | 109 | 1.102990013909E-02 1.117253656151E-02 1.131696712925E-02 1.146321440989E-02 | ||
4964 | 110 | 1.161130125486E-02 1.176125080304E-02 1.191308648434E-02 1.206683202339E-02 | ||
4965 | 111 | 1.222251144327E-02 1.238014906918E-02 1.253976953233E-02 1.270139777374E-02 | ||
4966 | 112 | 1.286505904815E-02 1.303077892797E-02 1.319858330727E-02 1.336849840582E-02 | ||
4967 | 113 | 1.354055077321E-02 1.371476729296E-02 1.389117518676E-02 1.406980201871E-02 | ||
4968 | 114 | 1.425067569960E-02 1.443382449133E-02 1.461927701126E-02 1.480706223672E-02 | ||
4969 | 115 | 1.499720950954E-02 1.518974854062E-02 1.538470941457E-02 1.558212259442E-02 | ||
4970 | 116 | 1.578201892639E-02 1.598442964469E-02 1.618938637640E-02 1.639692114642E-02 | ||
4971 | 117 | 1.660706638249E-02 1.681985492023E-02 1.703532000829E-02 1.725349531351E-02 | ||
4972 | 118 | 1.747441492623E-02 1.769811336560E-02 1.792462558495E-02 1.815398697727E-02 | ||
4973 | 119 | 1.838623338075E-02 1.862140108436E-02 1.885952683353E-02 1.910064783590E-02 | ||
4974 | 120 | 1.934480176712E-02 1.959202677673E-02 1.984236149414E-02 2.009584503466E-02 | ||
4975 | 121 | 2.035251700562E-02 2.061241751252E-02 2.087558716535E-02 2.114206708491E-02 | ||
4976 | 122 | 2.141189890922E-02 2.168512480006E-02 2.196178744953E-02 2.224193008673E-02 | ||
4977 | 123 | 2.252559648451E-02 2.281283096633E-02 2.310367841316E-02 2.339818427051E-02 | ||
4978 | 124 | 2.369639455551E-02 2.399835586413E-02 2.430411537844E-02 2.461372087398E-02 | ||
4979 | 125 | 2.492722072725E-02 2.524466392323E-02 2.556610006306E-02 2.589157937180E-02 | ||
4980 | 126 | 2.622115270626E-02 2.655487156293E-02 2.689278808607E-02 2.723495507582E-02 | ||
4981 | 127 | 2.758142599647E-02 2.793225498481E-02 2.828749685857E-02 2.864720712503E-02 | ||
4982 | 128 | 2.901144198964E-02 2.938025836485E-02 2.975371387896E-02 3.013186688516E-02 | ||
4983 | 129 | 3.051477647062E-02 3.090250246574E-02 3.129510545351E-02 3.169264677893E-02 | ||
4984 | 130 | 3.209518855865E-02 3.250279369064E-02 3.291552586403E-02 3.333344956906E-02 | ||
4985 | 131 | 3.375663010717E-02 3.418513360116E-02 3.461902700559E-02 3.505837811718E-02 | ||
4986 | 132 | 3.550325558544E-02 3.595372892337E-02 3.640986851836E-02 3.687174564313E-02 | ||
4987 | 133 | 3.733943246694E-02 3.781300206680E-02 3.829252843892E-02 3.877808651027E-02 | ||
4988 | 134 | 3.926975215030E-02 3.976760218275E-02 4.027171439771E-02 4.078216756374E-02 | ||
4989 | 135 | 4.129904144018E-02 4.182241678962E-02 4.235237539054E-02 4.288900005004E-02 | ||
4990 | 136 | 4.343237461681E-02 4.398258399424E-02 4.453971415366E-02 4.510385214779E-02 | ||
4991 | 137 | 4.567508612435E-02 4.625350533979E-02 4.683920017331E-02 4.743226214091E-02 | ||
4992 | 138 | 4.803278390973E-02 4.864085931252E-02 4.925658336229E-02 4.988005226719E-02 | ||
4993 | 139 | 5.051136344549E-02 5.115061554086E-02 5.179790843773E-02 5.245334327694E-02 | ||
4994 | 140 | 5.311702247151E-02 5.378904972267E-02 5.446953003604E-02 5.515856973805E-02 | ||
4995 | 141 | 5.585627649257E-02 5.656275931769E-02 5.727812860279E-02 5.800249612577E-02 | ||
4996 | 142 | 5.873597507054E-02 5.947868004468E-02 6.023072709734E-02 6.099223373741E-02 | ||
4997 | 143 | 6.176331895184E-02 6.254410322428E-02 6.333470855386E-02 6.413525847426E-02 | ||
4998 | 144 | 6.494587807304E-02 6.576669401117E-02 6.659783454279E-02 6.743942953532E-02 | ||
4999 | 145 | 6.829161048967E-02 6.915451056086E-02 7.002826457879E-02 7.091300906928E-02 | ||
5000 | 146 | 7.180888227548E-02 7.271602417938E-02 7.363457652377E-02 7.456468283430E-02 |
Javier,
You might want to run a test for numerical differences before I merge.