[Pw_forum] STM images after CP calculation in QE v.6.0

[Paolo Giannozzi]

I cannot reproduce your problem. Paolo

Il 04/gen/2017 10:53 PM, "Eduardo Cisternas" <eduardo.cisternas at ufrontera.cl>
ha scritto:

> Dear QE community:
>
> After suceesfull Car-Parrinello calculations in QE v.6.0 for thiols/Au111
> surface I wanted to obtain STM images for this system.
>
> My input was
>
> +++++++++++++++++++++++++++++++++++++++++
>
> &control
>
>     title = 'd2tiofeno_f',
>
>     calculation = 'cp',
>
>     disk_io = 'high',
>
>     wf_collect = .TRUE.,
>
>     pseudo_dir = '/home/ecisternas/pseudos'
>
>     restart_mode = 'restart',
>
>     ndr = 73,
>
>     ndw = 74,
>
>     nstep  = 10,
> ...
> +++++++++++++++++++++++++++++++++++++++++
>
> and was completed satisfactorily in a cluster.
>
> However, the first thing I see is that I don´t get the .wfc files
> and of course when I try to run pp.x
>
> I get the error:
>
> ...
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> error opening d2tiofeno_f_72.wc1
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping ..
>
>
>
> I suspect that this could be a bug in the new version, because
> I followed the same procedure using QE v5.1.1 and it worked
> without problems,
>
> I will thank enormously any help with this issue.
>
> Best regards,
>
> --
>
> *Dr. Eduardo Cisternas Jara*
> Assistant Professor
> Universidad de La Frontera
>
> *Temuco - CHILE*
> F: +56 - 45 - 232 52 46
>
>
> La información contenida en este correo electrónico y cualquier anexo o
> respuesta relacionada, puede contener datos e información confidencial y no
> puede ser usada o difundida por personas distintas a su(s) destinatario(s).
> Si usted no es el destinatario de esta comunicación, le informamos que
> cualquier divulgación, distribución o copia de esta información constituye
> un delito conforme a la ley chilena. Si lo ha recibido por error, por favor
> borre el mensaje y todos sus anexos y notifique al remitente.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170105/b7ec19c7/attachment.html>