[Pw_forum] npool in nscf calculation

[shu xu]

Hi,

How should I set up npool for nscf?
Shall I use an integer which is divided exactly by the number of K_POINTS in
scf or an integer
which is divided exactly by the number of k points along the k-path I choose
for the band structure?

Shu

NCSU
PHD
Physics
On Wed, Apr 13, 2011 at 1:40 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Apr 13, 2011, at 14:10 , Eduardo Ariel Menendez Proupin wrote:
>
> > Does it makes sense to use npool in a non self consistent calculation
> > (for DOS) with pw.x ?
>
> it should - 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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