[Pw_forum] Occupation numbers in CP and FPMD

[Eyvaz Isaev]

Dear all,

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
metallic systems?

Regards,
Eyvaz.


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