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Re: ppa imaginary energy
Posted: Wed Nov 25, 2015 10:44 am
by samaneh
Dear Daniele,
I did it again and I got that NAN again
I attached the files .
Best
S. Ataei
Re: ppa imaginary energy
Posted: Thu Nov 26, 2015 11:38 am
by Daniele Varsano
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
Re: ppa imaginary energy
Posted: Sun Nov 29, 2015 6:17 pm
by Davide Sangalli
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.