[Pw_forum] GIPAW for metallic system

Davide Ceresoli davide.ceresoli at istm.cnr.it
Thu Jul 12 09:19:46 CEST 2012


Dear Prasenjit,
     it's not implemented yet.

Davide


On 07/12/2012 04:01 AM, Prasenjit Ghosh wrote:
> Dear all,
>
> Has GIPAW been included for calculations using smearing?  Some early posts says
> that it has not been done.
>
> I want to calculate the nmr spectra of a system which is magnetic and for that I
> need to use smearing.
>
> So I was wondering whether in the latest version of QE, GIPAW with occupations
> smearing has been implemented or not.
>
> With regards,
>
> Prasenjit
>
> --
> PRASENJIT GHOSH,
> IISER Pune,
> First floor, Central Tower, Sai Trinity Building
> Garware Circle, Sutarwadi, Pashan
> Pune, Maharashtra 411021, India
>
> Phone: +91 (20) 2590 8203
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