[Pw_forum] Occupation numbers in CP and FPMD
eyvaz_isaev at yahoo.com
Mon May 19 16:45:34 CEST 2003
Now I am trying to do some calculations with CP and
FPMD. But I was surprised very much due to the
"occupations" option. It turned out that they are
fixed, i.e. valance and conduction bands are separated
as in semiconductors and and insulators. At least,
smearing is not used in CP and FPMD. Does it mean that
this kind of calculations could not be carried out for
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