Dear All, Does 'occupations=from_input' mean occupations of individual states are fixed ?
Can I define the occupations of the highest occupied state and lowest unoccupied state to be 1 and 1 to calculate the electron-hole excitation energy? Thanks for any comments. Jie -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101105/e0d0a060/attachment.htm
