DFT+U and spin-orbit

Total energy, geometry optimization, DFT+U, spin....

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mkuroda
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Joined: Wed Mar 07, 2012 7:02 pm

DFT+U and spin-orbit

Post by mkuroda » Wed Mar 07, 2012 7:06 pm

Hi,

I was wondering if it is possible to run calculations that simultaneously account for spin-orbit coupling and DFT+U.
Thanks,

Marcelo
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