Dear Daniele,
I did it again and I got that NAN again
I attached the files .
Best
S. Ataei
ppa imaginary energy
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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samaneh
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Re: ppa imaginary energy
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S. Ataei, PhD student at University of Tehran, Iran.
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Daniele Varsano
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Re: ppa imaginary energy
Dear Samaneh,
we need to reproduce your error. Could you do the following:
1) Reproduce the error lowering the parameter of your calculation in order to have a few minute run for debug purpose and post the relative input file
2) post also the qe input files together with the pseudopotential you used.
Daniele
we need to reproduce your error. Could you do the following:
1) Reproduce the error lowering the parameter of your calculation in order to have a few minute run for debug purpose and post the relative input file
2) post also the qe input files together with the pseudopotential you used.
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Davide Sangalli
- Posts: 640
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- Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy
- Contact:
Re: ppa imaginary energy
Dear Samaneh,
are you using the yambo version you got from svn ?
In that case doing "svn up" you should get the fix to the file src/common/FREQUENCIES_coarse_grid.F, otherwise please fix it as explained in the forum post you saw:
"viewtopic.php?f=14&t=1105&hilit=Bose&si ... 0&start=10"
If you still get NaN after that, please post the PWscf input files with the pseudo-potentials and we will try to reproduce the erro.
Best,
D.
are you using the yambo version you got from svn ?
In that case doing "svn up" you should get the fix to the file src/common/FREQUENCIES_coarse_grid.F, otherwise please fix it as explained in the forum post you saw:
"viewtopic.php?f=14&t=1105&hilit=Bose&si ... 0&start=10"
If you still get NaN after that, please post the PWscf input files with the pseudo-potentials and we will try to reproduce the erro.
Best,
D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/