Alpha/Beta Occupations
Yingchun Zhang
zhangyin... at 126.com
Sun Sep 17 02:05:59 UTC 2017
Hi, carlos,
I didn't use smearing before so i am not sure if i got your point, but
CP2K_INPUT <https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT.html> /
FORCE_EVAL
<https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL.html> /
SUBSYS
<https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS.html>
/ KIND
<https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND.html>
/ BS
<https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/BS.html> might
help to set occupations of the spin orbits,
Yingchun
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