Re: The polarization of semi-metallic system ( No.1 ) |
- Date: 2024/07/11 16:55
- Name: T. Ozaki
- Hi,
polB monitors how many bands are located below the chemical potential, and compares it with a half of the number of valence electrons. If they are different from each other, polB shows up the warning message. In case of a semimetal, the violation happens in a tiny volume of the Brillouin zone, which might be a reson why the computational result still remains a reasonable range.
Regards,
TO
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