[Wien] re lda+u error

idris.09 idris idris.09 at gmail.com
Wed Mar 13 11:40:23 CET 2013


thanks,
i tried this and i still got the error. i think i am doing mistake
somewhere. i first run the scf spinpolarized calculation after thai i
marked switchs like so an lda+u and then edit files case.indmc. i got the
dos but i iam facing error in band structure. further i am not
understanding to which d orbital we are appling 'u' please help me to
understand lda+u in detail

with regards

idris
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