[Wien] LDA+U

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[Wien] LDA+U

Post by Algerien1970 on Sat 16 May - 14:21


Dear Wien-users,

I wanted to know if it is possible to apply U in two orbitals of the same
atom (for example d and f orbitals of the same atom). From the user guide
and mailing list discussions it seems to be possible. But when I tried to
do such a calculation I encountered the following problem. I am using
Wien2k_08.2 version.

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Date d'inscription : 2015-05-14

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