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 op
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 wil
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