[Wien] Heusler alloys

[Stefaan Cottenier]

>  I am not questting if it is 25 or 26 for sure
>that is right Number of electrons is different
>
>   I need to know how can it be calculated
> Please forgive my not knowing how it is 25 or 26 
> or even for other Heusler alloys
>
>  
>
Co2SiAl:
Co = 7x3d + 2x4s = 9 'valence' electrons
Si = 2x3p + 2x3s = 4 'valence' electrons
Al=1x3p + 2x3s = 3 'valence' electrons

Total = 2x9 + 4 + 3 = 25

For Co2SiSn it is similar, but Sn has 2x5p + 2x5s  (for some reason the 
10x4d are not considered -- I don't  know the physics of your problem).

Note that 'valence' is used here in the chemical sense (=number of 
electrons outside a noble gas core), not in the wien2k-sense 
(=everything which is not a core state, determined by the energy 
separation in lstart).

Stefaan


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