[Wien] LSDA+U calculation
Yundi Quan
quanyundi at gmail.com
Sat Aug 27 03:46:27 CEST 2011
Hi,
When using LSDA+U(AMF), do I have to turn on spin-orbit interaction? On page
87 of the last userguid, it says that it is necessary to use LDA+U in
combination with the spin-obital coupling. In addition, when doing LDA+U
calculation for a system with inversion symmetry, is it necessary to turn on
complex calculation?
Yundi
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