[Pw_forum] nscf calculation error

[Lorenzo Paulatto]

On 24 March 2013 00:29, Kopinjol Baishya <kopinjol at gmail.com> wrote:
>  16     nbnd = 200,
>  29 OCCUPATIONS
>  30  2 2 2 2 2  0  0 0 0  0 0 0 0 0


Dear Kopinjol,
if you ask for 200 bands you must specify 200 occupations. Anyway, as
the calculation is nscf, the occupation does not really matter: just
set it to fixed.

bests


-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05