[Pw_forum] Error computing berry phase

Paolo Giannozzi giannozz at democritos.it
Mon May 23 19:53:21 CEST 2011

On May 23, 2011, at 5:27 , swapnil chandratre wrote:

> I receive the following error when I perform the nscf
> calculation after completing the  scf calculation...

look at example10, compare with your data. Consider
that berry's phase calculations are allowed only in

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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