[Wien] Occupation matrix in SOC calculations

[Peter Blaha]

You need to run the program   qtl

Check the UG for details.

On 09/23/2013 09:27 AM, Kyohn Ahn wrote:
> Dear WIEN2k users,
>
> I would like to print an occupation matrix in the |j, m_j>
> basis (instead of |l, m_l> for each spin)
> in an LDA+U+SOC calculation.
> Could you give me comments?
>
> With best regards
>
> - Kyohn
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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