> Hi Alberto, all,
>
> Just finished some FePt and Pt2 tests (not Z-matrix) and it seems that for
> trunk-688--merge-OSSO-698 every test gives right results! I mean, anisotropy
> energies, MMs, forces and rotational tests are ok. Maybe Roberto wants to
> perform an additional test.
So you find no changes stemming from the fixing of the wrong-highest-l pseudo SO contribution?
>
> The code does not finish properly. Just stops after write "Target enthalpy
> (eV/cell)" or Mulliken pop which I guess that will be fixed in the final
> merge...
We need to look at this. Please provide fdf file and psf's.
> Hi Alberto, all, -merge- OSSO-698 every test gives right results! I mean, anisotropy
>
> Just finished some FePt and Pt2 tests (not Z-matrix) and it seems that for
> trunk-688-
> energies, MMs, forces and rotational tests are ok. Maybe Roberto wants to
> perform an additional test.
So you find no changes stemming from the fixing of the wrong-highest-l pseudo SO contribution?
>
> The code does not finish properly. Just stops after write "Target enthalpy
> (eV/cell)" or Mulliken pop which I guess that will be fixed in the final
> merge...
We need to look at this. Please provide fdf file and psf's.
>