Add nbnd=some-suitable-number in the &system namelist of the 'bands' calculation
On Fri, Sep 1, 2017 at 10:43 AM, Maxim Arsentev <[email protected]> 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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