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
