IIRC this error means that when you generate the star (i.e. the set of all vectors equivalent by symmetry) of a given wavevector q, you find that one of those vectors has already been generated before. Typically this points to a problem in the choice of the wavevector grid, or in the values of FFT dimensions for the wavevector grid.
P. On Fri, 2013-10-25 at 14:48 +0200, yelena wrote: > Again, with the same question. With the same error, on different input. > Finished el-ph calculation. Trying to do q2r.x and get same error I'm > getting for a while Please can anyone help me. What does this error > means? > > Preparing gamma for a2F > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine init (1): > nc already filled: wrong q grid or wrong nr > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > stopping ... > > Can anyone explain to me, please. > > Regards, > Jelena > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
