p2y and wavefunctions

Come here to discuss issues with using the p2y converter from PWscf to Yambo, how to best run PWscf , link with the IOTK library, and so on.

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marco.govoni
Posts: 35
Joined: Thu May 21, 2009 3:46 pm

p2y and wavefunctions

Post by marco.govoni » Wed Sep 01, 2010 6:14 pm

Dear Yambo developers,
we are making tests on simple semiconductor bulks. We note that, looking at the l_stderr file, for some systems (such as InAs) it ends with the lines:
<---> == Writing DB1 ...
<---> == DB2 (wavefunctions) ...
while for other systems (such as Si) it ends with just
<---> == Writing DB1 ...
P2Y has been called using -S -N options. If we use also the verbosity option -v we see that the missing line re-appears (plus some other lines).
Is there a problem connected with this? or is it simply a missing line? We are running on Cineca sp6.

Cheers,

Marco
Marco Govoni
Physics Department, University of Modena and Reggio Emilia (Italy)

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Conor Hogan
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Joined: Tue Mar 17, 2009 12:17 pm
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Re: p2y and wavefunctions

Post by Conor Hogan » Mon Sep 06, 2010 11:45 am

But does it stop, or does it write the wavefunctions anyway?
Dr. Conor Hogan
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".

marco.govoni
Posts: 35
Joined: Thu May 21, 2009 3:46 pm

Re: p2y and wavefunctions

Post by marco.govoni » Mon Sep 06, 2010 11:54 am

In the SAVE directory I do have (n)s.wf also in the case P2Y does not write the line about DB2.
Did I answer your question?
thanks
Marco
Marco Govoni
Physics Department, University of Modena and Reggio Emilia (Italy)

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Conor Hogan
Posts: 111
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Re: p2y and wavefunctions

Post by Conor Hogan » Mon Sep 06, 2010 12:39 pm

Ok good- so it means (I'm fairly sure) that everything is ok, except for some small report message sometimes not appearing - I'll fix it sometime when I find the chance!
Dr. Conor Hogan
CNR-ISM, via Fosso del Cavaliere, 00133 Roma, Italy;
Department of Physics and European Theoretical Spectroscopy Facility (ETSF),
University of Rome "Tor Vergata".

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