[Wien] LDA+U (on p orbital)?

Ruoshi Jiang ruoshijiang at sjtu.edu.cn
Mon Apr 18 16:23:38 CEST 2022


Dear Sir,

             I am wondering if the LDA+U/Bext can add on the p orbital. I see the value of lorb is only 2(which means the d orbital) through the whole manual.  I tried the f orbitals, it worked. But it failed when I tried p orbitals.

            Looking forward to your reply. Thanks very much.


Best,
Rossie

            

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