[Wien] Orbital moment

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Thu Jan 27 09:48:10 CET 2005


I've never used OP myself, but:

>   My case.inorb file is as follows
> 
>   2  2  0
>   BROYD  0.4                         use:  PRATT   1.0
>   1  2  2                            use:   1 1 2   !!!!
>   2  1  2
>   0         nmodop
>   1         Ncalc
>   1         Ncalc
>   0.  0.  1.  direction of M



                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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