[Pw_forum] nband for band structure calculations

Paolo Giannozzi p.giannozzi at gmail.com
Fri Sep 1 12:17:18 CEST 2017


Add nbnd=some-suitable-number in the &system namelist of the 'bands'
calculation

On Fri, Sep 1, 2017 at 10:43 AM, Maxim Arsentev <arsentev at isc.nw.ru> wrote:

> Dear users and developers,
>
> I successfully obtained the band structure of TaS3, but for such
> calculations, I did not spedify the nband variable. How to set it (maybe
> look in output or smth else).
> Bests,
> Maxim Arsent'ev, Ph.D. (Chemistry)
> Laboratory of research of nanostructures
> Institute of Silicate Chemistry of RAS
>
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>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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