initial density matrix for LDA+U

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alex1981
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initial density matrix for LDA+U

#1 Post by alex1981 » Thu Aug 19, 2010 11:21 pm

Is there any way to specify initial density matrix in LDA+U calculations?
Last edited by alex1981 on Thu Aug 19, 2010 11:21 pm, edited 1 time in total.
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boris
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initial density matrix for LDA+U

#2 Post by boris » Fri Aug 20, 2010 11:24 am

Hi.

It is not possible, unfortunately.

Boris.
Last edited by boris on Fri Aug 20, 2010 11:24 am, edited 1 time in total.
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