[Pw_forum] symmetry operation not allowed

[Paolo Giannozzi]

Lily Anh wrote:

> I have changed ecutwfc (from 20-50Ry every 5 Ry), ecutrho (200-1200 
> every 50), k grid. But nothing works.

of course nothing works: your system does not have the symmetry
you pretend it has. The code follows some rather strict criteria
to decide whether a symmetry operation is present or not. This is
explained in detail in the user guide, and has been explained in
this mailing list no less than 36000 times

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy