[Pw_forum] (no subject)
marziyeh khodadad
khodadadmarziyeh at gmail.com
Wed Dec 5 19:01:01 CET 2012
Dear paolo,
I thank you for your guidance.
i want to know for DOS calculation for semi-conductors it is correct to
perform the calculations of scf and nscf with different occupations or not?
smearing for occupation in input scf file but tetrahedra occupation
in input nscf file!
with regards
khodadad,
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