lp:siesta

Created by Nick Papior on 2017-10-06 and last modified on 2018-04-19
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Owner:
Siesta Maintainers
Project:
Siesta
Status:
Development

Recent revisions

687. By Alberto Garcia on 2018-04-19

Merged 4.1, r896 (orbmom control in 'state_analysis')

686. By Nick Papior on 2018-04-18

Merged 4.1, r894-895: clarify phases in pdos*k routines; H(5),H(6) in pdos3*

685. By Alberto Garcia on 2018-04-17

Merged 4.1, r893 (control output of orbital moments)

684. By Alberto Garcia on 2018-04-17

Merged 4.1, r892 (mulliken population fix for noncoll case)

683. By Alberto Garcia on 2018-04-15

Merged r890-891: docs for TRS change in 4.0; i-PI 'EXIT' handling

682. By Alberto Garcia on 2018-04-15

Merged r889: Spin monitoring in scf cycle. DM(4) sign flip utility

681. By Alberto Garcia on 2018-04-15

Merged r888: Produce json timing report. More items in CML output

When the 'tree_timer' option is in effect, the program will generate
a JSON file with timing information.

The CML output file now contains the total number of orbitals and the
number of non-zero Hamiltonian matrix elements.

( Note that we do not include the compatibility NRTAB option in this
  version. A printout of the value is still retained in 'read_options' )

680. By Nick Papior on 2018-04-09

Merged r886, small bug-fix and added file size print-out

679. By Nick Papior on 2018-04-07

Merged r882-885, bug-fixes non-equilibrium contours in example and added tiling

678. By Alberto Garcia on 2018-03-31

Merged r881, enable mulliken output in SOC case

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