In data 06 ottobre 2009 alle ore 11:34:33, udayagiri sai babu <udayagiri3 at gmail.com> ha scritto: > I got an error saying *"strange occupations:number of electrons from > occupations is wrong"*. I undestood like my occupation card is not > matching with my "nbnd" value but i could not correct it can somebody > give me some > suggestion.
In QE versions 4.0.x and before the occupations you had to specify at most ten occupations per line, you input would work this way: OCCUPATIONS 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 QE 4.1 and newer do not have this limitation. best regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
