[Pw_forum] Problem with epsilon.x
Paolo Giannozzi
giannozz at democritos.it
Tue Jul 24 10:01:12 CEST 2012
On Tue, 2012-07-24 at 09:09 +0200, Bohdan Andriyevskyy wrote:
> ban band number
of course the correct error message is "bad band number".
If you search this error message, you will find a comment
explaining that you need more bands than valence bands only.
You have valence bands only: occupations='fixed' (it should
be 'smearing')
P.
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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