[Pw_forum] Error computing berry phase
swapnil.chandratre at gmail.com
Mon May 23 20:15:27 CEST 2011
Does it mean that I cant work with the berry phase in case I have
semiconducting stucture ?
On Mon, May 23, 2011 at 12:53 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
> 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
> Pw_forum mailing list
> Pw_forum at pwscf.org
Dept. of Mechanical Engineering,
University of Houston,
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