[Wien] optic-tetra value

[Peter Blaha]

It will not matter too much, but in principle for metals and half-metals 
101 is more "save", because with the Blöchl-correction "negative 
occupation numbers" could occur, leading to a "negative eps-2".

On 06/22/2016 12:34 PM, emami seyyed amir abbas wrote:
> Dear users.
>
> I am trying to obtain optical properties of a half-metal compound. As i
> know for metallic systems we should put tetra/with value=101. But in
> half-metal systems one spin channel has metallic behavior and other has
> insulator or semiconductor behavior. Accordingly, which value will be
> appropriated for this input.
>
> Thank you in advance for your attention to this matter
>
>
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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