Dear PWscf, It seems that I can define occupation by using 'occupations=from_input'.
Is the occupation constrained in the SCF iterations. Can I use this way to calculate e-h excitation energy? Thanks in advance, Jie -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101105/68ba21d9/attachment.htm
