On Fri, May 5, 2017 at 9:26 AM, Q.J.Wang <[email protected]> wrote: > I use QE6.0 to relax a slab structure, the total force can't converge, > however, when I use the old version QE5.0.2, it works well. The input file
... is incomplete, so unusable. Please provide a complete input and an output for 5.0.2 and for 6.0 Paolo -- 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
