Warning "Set Gthresh>1.E-5 in input to avoid this"

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

Locked
Zafer Kandemir
Posts: 34
Joined: Wed May 06, 2020 9:43 am
Contact:

Warning "Set Gthresh>1.E-5 in input to avoid this"

Post by Zafer Kandemir » Fri Jun 17, 2022 4:42 pm

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
Dr. Zafer Kandemir
Postdoctoral Researcher (Theoretical Physicist)
Department of Mechanical Engineering, Eskisehir Technical University
26555 Tepebasi-ESKISEHIR/TURKEY

User avatar
Daniele Varsano
Posts: 3773
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Warning "Set Gthresh>1.E-5 in input to avoid this"

Post by Daniele Varsano » Mon Jun 20, 2022 7:53 am

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
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/

Locked