[Wien] How can I get value of spin-orbit coupling strength in wien2k?

[Peter Blaha]

No.

The SO effect is calculated self-consistently from   dV/dr ,
so there is no "element specific-SO-cc" in the code.

(Of course, one could probably estimate this from the potential).

On 11/04/2013 08:49 AM, Santu Baidya wrote:
> Dear wien2k users,
>
> I am using wien2k version "WIEN2k_12.1" to do spin-orbit caluclation
> with GGA exchange-correlation functional. Could any one please tell me
> if it is possible to get the value of "spin-orbit coupling constant" in
> wien2k.
>
> Thanks in advance,
>
> Santu Baidya
> SRF, CMPMS
> SNBNCBS
>
>
>
>
>
> *"The happiest people do not always have the best of all,* * they simply
> appreciate  what they find on their way!!!" SANTU
> *
>
>
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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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