[Pw_forum] Error message from scf calculation

[Paolo Giannozzi]

On May 20, 2011, at 24:34 , Tram Bui wrote:

> "charge is wrong: smearing is needed". Would you please
> give me some information on how to solve this error?

use smearing

> I have enclosed the input file here

>

really?

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222