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initial density matrix for LDA+U
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initial density matrix for LDA+U
Posted:
Thu Aug 19, 2010 11:21 pm
by
alex1981
Is there any way to specify initial density matrix in LDA+U calculations?
initial density matrix for LDA+U
Posted:
Fri Aug 20, 2010 11:24 am
by
boris
Hi.
It is not possible, unfortunately.
Boris.