[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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