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

[Eduardo Cisternas]

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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170104/94e0016a/attachment.html>