[Pw_forum] Error computing berry phase
swapnil.chandratre at gmail.com
Mon May 23 21:04:19 CEST 2011
Thank you for the reply, just to confirm my set up, can you emphasize on
what I should focus (in scf and nscf) to see, that I have defined semi
conductors as insulators.
I checked on the band gap of the structure, it shows an opening and hence
semi conducting property.
On Mon, May 23, 2011 at 1:58 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
> On May 23, 2011, at 20:15 , swapnil chandratre wrote:
> > Does it mean that I cant work with the berry phase in case
> > I have semiconducting stucture ?
> as far as semiconductors are treated as insulators, you can
> 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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