Hi QE users, In one of my previous mail, I have asked about the spin polarisation in a sytem having odd number of electrons , (I have 21 hydrogen atoms in my system ).
As suggested I used nelup =11 and neldw = 10, however, it is showing me the same error, as nelp out of range. so what shall I do now?? Thanks SS -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090911/3cbc0c0c/attachment.htm
