[Wien] a question about LDA+U

[Peter Blaha]

But does it make sense ?  Only if you can justify U=0, J=0.3 it is ok.

Sergio Yuanuen Rodriguez schrieb:
> Yes you can do it, just modify the case.inorb file according to your needs.
> 
> Sergio Y. Rodriguez
> Physics Department
> Texas A&M University
> 
>> Dear WIEN2K usere,
>> Suppose i am working with a system and like to use
>> LDA+U
>> for example with U=0 and J=0.3 Ryd.
>> Can i do it ?
>> Please guide me.
>> Your's
>> Morteza Jamal.
>>
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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