On Fri, Dec 28, 2018 at 7:09 PM Lorenzo Paulatto <[email protected]> wrote:
> > * q= 0.00000509 0.14390743 0.00000000* >> > > This point looks very funny, it may be that your system is close, but not > quite, equal, to some higher-symmetry lattice. > or it was slightly distorted by a variable-cell calculation. I have re-run that case starting with a plain scf calculation and there is no error. Paolo And this is confusing q2r somehow. Note that most people (me included) are > on holiday now, likely until the 7th of January. You may get a better > answer later. > _______________________________________________ > 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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