I did, and it looks like it is produced by "the usual suspects": not-so-symmetrical positions + paranoid checks (in d_matrix this time)
On Tue, Apr 16, 2019 at 2:52 PM Lorenzo Paulatto <[email protected]> wrote: > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > task # 0 > > from d_matrix : error # 2 > > D_S (l=3) for this symmetry operation is not orthogonal > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > > > I did not manage to reproduce your error with a reduced cutoff and > k-points, please provide also the output files. > > kind regards > > -- > Lorenzo Paulatto - Paris > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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