On Tue, 2015-03-10 at 14:41 +0800, 邵德喜 wrote: > when I conduct str opt with QE, error appears just as follows: > > Error in routine ggen (1): > smooth g-vectors missing !
> The output is attached below. not really. Anyway: you should verify that you haven't given in input weird parameters (cutoff, fft dimensions) for the G-vector grid, or very strange cells Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
