[Pw_forum] nband for band structure calculations

[Lorenzo Paulatto]

The number of bands used is also printed on output as "Number of 
Kohn-Sham states", setting spin=1 or spin=2 does not change the number 
of bands, as the code uses an equivalent trick to double the number of 
k-points.



On 01/09/17 13:26, Omamuyovwi Akemu wrote:
> Choose a suitable value for nbnd.
>
> Go to the scf output, look out for the number of electrons.
>
> nbnd > or = number of electrons divided by 2.
>
>
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-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
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