[Pw_forum] log(ω) and nscf ?

Hanyu ouuing at gmail.com
Fri Jan 8 09:51:20 CET 2010


thank you!

On Fri, Jan 8, 2010 at 4:27 PM, Paolo Giannozzi <giannozz at democritos.it> wrote:
> Hanyu wrote:
>
>> what is nscf? why do it before to calculate elph couple.
>
> nscf = non self-consistent calculation. It is useful (not
> strctly needed) to produce a very dense grid of eigenvalues
> used in the integration at the Fermi surface
>
> P.
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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-- 
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=-
 Hanyu Liu(刘寒雨),
 MS.
 State key  Laboratory of Superhard Materials, Jilin University, China
 Email: liuhanyu08 at mails.jlu.edu.cn    ouuing at gmail.com



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