[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
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