[Wien] Question about input file case.inorb for LDA+U

[Stefaan Cottenier]

> I want to use LDA+U to calculate 4f; after read the UG, I am not   
> sure about how to set parameter  "mixmod" in case.inorb. The UG   
> said: should be set to "PRATT, 1.0"; should I must change the set in  
>  case.inm to "PRATT" too? or I can select PRATT/BROYD ?

in case.inorb: leave it as "PRATT, 1.0"; do not touch it.

in case.inm: do whatever you would have done for a case without LDA+U.  
It is not related to what is put in case.inorb.

Stefaan


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