[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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