Dear Developers,
When I execute the "yambo" command after successfully creating the SAVE folder, I got the following warning:
"Set Gthresh>1.E-5 in input to avoid this"
What should I do about this?
Best regards,
Zafer
Warning "Set Gthresh>1.E-5 in input to avoid this"
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Warning "Set Gthresh>1.E-5 in input to avoid this"
Dr. Zafer Kandemir
Postdoctoral Researcher
Faculty of Engineering and Natural Sciences, Sabanci University
34956 Istanbul, Turkey
Postdoctoral Researcher
Faculty of Engineering and Natural Sciences, Sabanci University
34956 Istanbul, Turkey
- Daniele Varsano
- Posts: 4217
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Warning "Set Gthresh>1.E-5 in input to avoid this"
Dear Zafer,
yambo orders the G vectors in shells, if open shells are found the max number of gvectors is reduced. You can define a threshold for the g vecotrs packing.
You can avoid this by defining the threshold in input using the variable Gthresh. In any case, this warning should be harmless.
Best,
Daniele
yambo orders the G vectors in shells, if open shells are found the max number of gvectors is reduced. You can define a threshold for the g vecotrs packing.
You can avoid this by defining the threshold in input using the variable Gthresh. In any case, this warning should be harmless.
Best,
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/