Change mixing beta to 0.7 increase ecutwfc Use rrkjus pseudopotential On May 5, 2017 12:56 PM, "Paolo Giannozzi" <[email protected]> wrote:
> 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 >
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