[Pw_forum] Error in q2r.x

[Malgorzata Wierzbowska]

On Thu, 1 Dec 2005, Paolo Giannozzi wrote:


    Marisol,
Can you send me all your files *dyn* with which you get
this q2r error?
Thanks,
  Gosia


> On Wednesday 30 November 2005 20:59, Alcantara Ortigoza, Marisol wrote:
>
>>>     from init : error #         1
>>>      nc already filled: wrong q grid or wrong nr
>
> did you use the manual procedure (i.e. one q at the time) or the
> "automatic" one (i.e. specifying a q-grid and calculating all q's
> at the same time)? In the former case, verify if you have correctly
> passed the grid: 2,2,1, in the input of q2r.x.
>
> Paolo
>
>