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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