Viewing all changes in revision 634.
- Committer: Sergio Illera Developer
- Date: 2017-10-02 13:51:01 UTC
- Revision ID: sergio.illera@cin2.es-20171002135101-7c8g9wlr1pxizpt3
*******************LIBXC**************************************
NSPIN==2 (spin Polarized fdf-option and PBE XC-potential)
cellxc.F90: some changes in the Vaux calculation..
There are slight differences between the unpolarized and polarized case but looks OK!!!
tested for BN, Si unit cells and the C60 molecule for PBE-libxc spin/no spin polarization and looks ok!!!
NSPIN==2 (spin Polarized fdf-option and PBE XC-potential)
cellxc.F90: some changes in the Vaux calculation..
There are slight differences between the unpolarized and polarized case but looks OK!!!
tested for BN, Si unit cells and the C60 molecule for PBE-libxc spin/no spin polarization and looks ok!!!
- files modified:
- Src/SiestaXC/cellxc.F90
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