[Pw_forum] q2r.f90 error message "wrong nb read"

Eyvaz Isaev eyvaz_isaev at yahoo.com
Fri Jan 11 10:39:10 CET 2008


Hi,

It seems someting wrong in your dynamical matrix.
Check carefully your input file (atomic positions and
types) and dymanical matrices. The error happens when 
 there is a mismatch between atomic types.

Bests,
Eyvaz. 


--- ³¯ ¤ÖµØ <chen_shao_hua197 at yahoo.com.tw> wrote:

> Dear Forum's members,
> 
> There is a error message "wrong nb read" in the
> In.q2r.out .
> I check its meaning in q2r.f90 .
> But I am not good at fortran's program.
> Does anyone could tell me how to avoid this error ?
> 
> Thanks in advance
> 
> max
> Physics department, National Taiwan
> University,Taiwan 
> 
> P.S. In.q2r.in
>  &input
>   zasr='simple',  fildyn='In.dyn', flfrc='In.fc',
> la2F=.true.
>  /
> 
> 
>      
>
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-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, and 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com


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