What do you mean by "results with multiplicity 1" and "Wyckoff multiplicity?
On Tue, Apr 4, 2017 at 12:08 PM, hqtst42 <[email protected]> wrote: > Dear everyone, > > In the enclosed input file, I set atomic coordinates of all equivalent atoms > with crystal_sg and the space group. > > This should give results with a multiplicity of 1, but I have instead a > multiplicity of 2 in the output file. > How can I force the program to conserve the Wyckoff multiplicity taken as an > input ? > All in QE v 6.0 > > Many thanks in advance, > > Henri Colaux > Research associate > RIKEN Yokohama > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
