[Pw_forum] Error computing berry phase

[swapnil chandratre]

Hi Paolo,

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
>
> P.
> ---
> 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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-- 
Regards,
Swapnil Chandratre
Graduate Student
Dept. of Mechanical Engineering,
University of Houston,
Houston, TX
(M)-713-294-9546
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