[Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)

Sushil Auluck sauluck at iitk.ac.in
Thu Aug 14 06:04:12 CEST 2008


hi,
as emphasized many times on this forum the correct fermi is the one
calculated with a k-mesh that is spread over the whole brilluoin zone
...NOT the one that comes out of a band structure calculation which
is from a k-mesh that is along symmetry directions.
s.auluck

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