Thank you very much for the answer! So will using larger q grid fix this problem in next calculation? Is there anyway to bypass this issue in existing results? and calculate lambda and Tc?
J. On 27 Oct 2013 11:11, Paolo Giannozzi wrote: > 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
