[Pw_forum] Constrained occupation

Jie Jiang jiejiangnc at gmail.com
Sat Nov 6 00:20:34 CET 2010


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 


More information about the Pw_forum mailing list