[Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0

Paolo Giannozzi p.giannozzi at gmail.com
Fri May 5 10:25:24 CEST 2017


On Fri, May 5, 2017 at 9:26 AM, Q.J.Wang <wangqj1 at 126.com> 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



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