[Wien] runsp_c_lapw and spin-orbit

[Peter Blaha]

No, you don't need to consider symmetso as long as you use runsp_c_lapw

Am 10.05.2013 08:42, schrieb Francisco Garcia:
> Dear users,
>
> Suppose that I use runsp_c_lapw to constraint the spin magnetic moments to zero (eg. non-magnetic eece calculation). If I add spin-orbit interaction by running initso_lapw,
> must I treat it as non-spin-polarized (in that case I will not run symmetso) or treat it as spin-polarized (in that case I will run symmetso).
>
> Thank you.
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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