In data 23 settembre 2009 alle ore 15:40:55, ali kazempour <kazempoor2000 at yahoo.com> ha scritto: > But esspresso don't allow fixed occupation for spin-polarized
Dear Ali, it does! You have to specify the occupations for spin up then, on a new line, for spin down. that's all cheers -- 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/