[Pw_forum] Constrained occupation
Jie Jiang
jiejiangnc at gmail.com
Fri Nov 5 23:07:48 CET 2010
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://lists.quantum-espresso.org/pipermail/users/attachments/20101105/68ba21d9/attachment.html>
More information about the users
mailing list