[Ape-devel] svn commit: r673 - trunk/src by micael

ape-devel at tddft.org ape-devel at tddft.org
Fri Jan 27 11:44:48 WET 2012


      Author: micael
        Date: Fri Jan 27 11:44:48 2012
New Revision: 673
   Changeset: http://www.tddft.org/trac/APE/changeset/673

Modified:
   trunk/src/atom_ps_inc.F90
   trunk/src/ps_generation.F90
   trunk/src/states.F90

Log:
 * When using a Vanderbilt function for the local part of the KB projector, the cutoff radius should be the radius beyond which the pseudopotentials are all equal. Previously the maximum value of the pseudopotential cutoff radii  was used, but this was wrong for the Hamann scheme.
 * state_kb_projector does not return the quantum numbers of the state anymore, as this is not really necessary.



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