[Pw_forum] on nosym=.true.

[Paolo Giannozzi]

Mahmoud Payami wrote:

> I must NOT  force any coordinates of any atom to remain fix. I just 
> removed " 0 0 0" after the coordinates of the first atom and now it 
> works at the expense that there is a whole translation of the system 
> along the z-direction.

this is an old and known problem. If you impose a constraint
that breaks the symmetry, you will run into trouble because
the number of k-points may change during the run.

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