Are you sure that your structure is correct? Most issues like this are
because you are trying something unreasonable, e.g. you have the wrong
symmetry, combination of atoms etc. Have you checked that your structure is
valence neutral -- if not then it will be metallic not semiconducting in
Of course. With TEMP EF is NOT at the VBM but usually in the gap.
With TETRA EF should be at the VBM. In very fewcases it could be at the
CBM due to "rounding" problems.
Check (or send) the "band-ranges" and their occupations printed in case.scf2
Am 23.10.2020 um 19:34 schrieb abderrazek
Yes, I've used TEMP again, same problem.
-- Forwarded message -
من: Peter Blaha
Date: الجمعة، 23 أكتوبر، 2020 17:45
Subject: Re: Fermi level!
To: abderrazek khireddine
Did you use TEMP instead of TETRA ???
PS: Please use the mailing list for questions, not my personal
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