[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
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