[Pw_forum] A problem with pwcond.x

[mohsen modaresi]

Dear Gabriele,
We used Q. E 4.2. We upgrade it to 4.2.1 and the problem solved.
Thanks for your guide.

Mohsen

On Wed, Sep 8, 2010 at 11:54 AM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

>  On 09/08/2010 08:45 AM, mohsen modaresi wrote:
>
> Dear Gabriele,
> Thanks for your answer. We neglect d and f orbitals. But we faced with this
> error:
>
>
> "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from check_stop_now : error #         1
>      check_stop not initialized
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
> This is strange, it should not happen. Which version of QE are you using?
> If it is lower than 4.2.2 please upgrade your QE distribution and retry. If
> the problem persists, please send me the input files (scf+pwcond).
>
> If you don't want to upgrade (which, however, I strongly suggest to do in
> any case), check if tran_save is initialized to FALSE in the ELSE statement
> here below:
>
>   IF (ikind.NE.0 .AND. tran_prefix.NE.' ') THEN
>      !
>      tran_save = .TRUE.
>
>    ...
>
>   ELSE
>      !
>      tran_save = .FALSE.
>      IF (recover)  call errore('do_cond',&
>         'you must specify tran_prefix in order to restart',1)
>   ENDIF
>
>
> If not, add that line to the code and recompile.
>
>
> HTH
>
> GS
>
>
> Thanks again for your help.
>
> Mohsen Modarresi
>
>
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>
>
>
> --
>
> Gabriele Sclauzero, EPFL SB ITP CSEA
> PH H2 462, Station 3, CH-1015 Lausanne
>
>
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>
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