[Pw_forum] (no subject)
hande at newton.physics.metu.edu.tr
Fri Aug 29 15:38:44 CEST 2008
Different occupations signify that the reference configurations with
respect to which the pseudopotentials were generated were taken
differently. If you would like to know more about what this means I suggest
you read the documentation that comes with the generation code.
The other difference is that the one that's called nsp has nonlinear core
corrections while the other one doesn't.
Department of Physics
Middle East Technical University
Ankara 06531, Turkey
Tel : +90 312 210 3264
More information about the users