[Pw_forum] Germanuim [0qq] problem ....
xhongjun
xhongjun at mail.ustc.edu.cn
Mon Sep 1 15:51:08 CEST 2003
Dear sprokuda:
I have tried you input file and it runs well.
The result is :
Diagonalizing the dynamical matrix
q = ( 0.000000000 0.100000000 0.100000000 )
**************************************************************************
omega( 1) = 0.728644 [THz] = 24.305102 [cm-1]
omega( 2) = 0.899357 [THz] = 29.999510 [cm-1]
omega( 3) = 1.296939 [THz] = 43.261503 [cm-1]
omega( 4) = 8.777482 [THz] = 292.787245 [cm-1]
omega( 5) = 8.797850 [THz] = 293.466635 [cm-1]
omega( 6) = 8.798618 [THz] = 293.492246 [cm-1]
**************************************************************************
But I don't know why such problem occur in your case.
Good luck.
sprokuda at dnk.ru wrote:
> Dear Paolo ,
> Recieved your advise about "tmp_dir" and "outdir" I've replaced the
> first with the second. But it didn't help - the problem is the same.
> But tell me - how it could be that the same input script works for Si,
> but it doesn't for Ge, while this structures are very similar?
> Best wishes, Prokudaylo Sergey.
>
>
>>Trying to run the examples I got "FORTRAN STOP 2" error message in
>>example2, in single mode calculations - what could it be and why ?
>
>
> it could be anything: fortran stop 2 means that fortran execution
> stopped with error 2 (whatever it means). For me, your scripts
> stops because of an obsolete variable name in a namelist
> ("tmp_dir" instead of "outdir").
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
More information about the users
mailing list