[Pw_forum] little 'bug' in bands_FS

Paolo Giannozzi giannozz at democritos.it
Wed Jul 11 14:07:28 CEST 2012


On Jul 11, 2012, at 11:39 , Cristian Degli Esposti Boschi wrote:

> I guess that the solution would be either (i) to rembember to exclude
> verbose output in the preliminar bands/nscf calculation or (ii) add a
> little control within bands_FS in order to skip the occupation numbers
> lines while reading the energies from the file.

thank you. The best solution is yet another: bands_FS should read
the data file, not the output files that changes more often than not.
Any volunteers?

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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