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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