[Pw_forum] Error in q2r.x

[Paolo Giannozzi]

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 

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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