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add a new fermi level calculation method in band.py and its example

Open AsymmetryChou opened this issue 1 year ago • 0 comments

Considering the fermi level estimation method in band.py is not very accurate and might fail in the case of metal (like Au primitive cell), I add an another fermi level calculation method, which gets fermi level iteratively by sampling kpoints in Brillouinzone with or without time-reversal-symmetry.

AsymmetryChou avatar May 21 '24 07:05 AsymmetryChou