[Pw_forum] Error message from scf calculation

Paolo Giannozzi giannozz at democritos.it
Fri May 20 08:06:48 CEST 2011

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



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

More information about the users mailing list