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 & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
