[Pw_forum] the effect of smearing on density of states
giannozz at democritos.it
Thu Apr 7 10:38:52 CEST 2011
On Apr 6, 2011, at 22:14 , mashiat alaaii wrote:
> Since scf gave me this error: "charge is wrong, smearing in needed",
> and I could not fix it by adding the number of the bands or number
> of electrons, I used cold smearing with degauss=0.018.
if the code says "smearing is needed", smearing is needed.
Are you sure you used it? what the code uses should be
reprinted on output
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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