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Initializing Yambo
Posted: Tue Apr 06, 2021 2:00 pm
by marsusi
Dear Daniel,
Thanks again for your help, "yambo -x, or yambo -p p" also produce empty input files. Please see the attached r_setup file.
Many thanks,
Farah,
Department of Physics,
Amirkabir University.
r_setup.txt
Re: Initializing Yambo
Posted: Tue Apr 06, 2021 2:08 pm
by Daniele Varsano
The problem is here:
see r_setup:
Code: Select all
[WARNING]Incompatible serial number for ./SAVE//ndb.kindx
[WARNING][RL indx] 2 equivalent points in the rlu grid found
[RL indx] X grid is not uniform. Gamma point only.
It seems you had a previous ndb.kindx in the SAVE directory that is causing problem.
You should delete it and run the setup again.
Use an input file containing "setup" only.
Anyway it seems to me you are not using the SAVE directory of the tutorials, if you produced your SAVE directory be sure you used
in your quantum espresso input file.
If the problem persists you can add the keyword:
in your setup input file.
Best,
Daniele
Re: Initializing Yambo
Posted: Tue Apr 06, 2021 2:56 pm
by marsusi
Dear Daniel,
Sorry for taking your time again,
I have deleted the ndb.kindx file and launched it again by typing yambo. r_setup file gives the same warnings and the yambo -x does not work.
Farah.
Amirkabir University.
Re: Initializing Yambo
Posted: Tue Apr 06, 2021 3:01 pm
by Daniele Varsano
Dear Farah,
this means that there are problem in your QE input files.
You can try to remove your ndb.kindx and rerun the setup using this input file:
Best,
Daniele
Re: Initializing Yambo
Posted: Tue Apr 06, 2021 3:14 pm
by marsusi
Dear Daniel,
Many thanks. Yes, with your PWscf files the problem was solved.
Thanks again,
Farah.
Amirkabir University.