[Wien] Heusler alloys

[Peter Blaha]

>     In Heusler alloys  I would like to see if one of the Heusler alloys follow Slater-Pauling curve or not so I need 
>    
>   1-Total magnetic moment Mt

:MMT in scf file

>   2- total valence charge Zt

Follows directly from the nuclear charge of the atom.

>   3- use Mt= Zt-24  for full Heusler alloys
>    
>   My question is: we get the  magnetic moment in case.scfm 
>    
>   i-Which file of Wien has the  Zt?
>   ii- How can I  calculate  Zt if It can not be read by Wien.


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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