Viewing all changes in revision 92.
- Committer: Alberto Garcia
- Date: 2006-01-17 10:47:32 UTC
- mfrom: (unknown (missing)) (unknown (missing))
- Revision ID: Arch-1:siesta@uam.es--2005%siesta-devel--reference--1.5--patch-3
XC: Add revPBE functional -- fix call to blypxc for non-collinear spin
A new routine has been added to xc.f to implement the "revPBE" functional
(which only differs from PBE in the change of a parameter). The new "author"
code in the fdf file is "revPBE".
The call to blypxc was not correct in the case of non-collinear spin. Fixed.
A new routine has been added to xc.f to implement the "revPBE" functional
(which only differs from PBE in the change of a parameter). The new "author"
code in the fdf file is "revPBE".
The call to blypxc was not correct in the case of non-collinear spin. Fixed.
- files modified:
- Docs/siesta.tex
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