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