Thank you for the answer GS and Lorenzo. I am using 10 occupations per line in the occupations card as you suggested and It is not giving any error now.
On Tue, Oct 6, 2009 at 6:18 PM, Lorenzo Paulatto <paulatto at sissa.it> wrote: > 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/<http://people.sissa.it/%7Epaulatto/> > > *** save italian brains *** > http://saveitalianbrains.wordpress.com/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- U.Saibabu PhD student, Deformation mechanisms modeling group, Materials engineering department, IISc Bangalore, India. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091007/8de40c7c/attachment.htm
