Dear Yambo developers
sometime ago, together with a student, we ran a GW calculation with yambo 4.0.x and by mistake
we put a number of bands in the GbndRnge larger than the available ones.
The code got stuck at the end of the GW without printing any error message.
So I spent one day to figure out what was wrong.
I kindly ask you if it is possible to put a check in the code or to force
the code to print an error message when a user sets a number of bands larger than the available ones
regards
Javad
A simple request
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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javad
- Posts: 42
- Joined: Fri Feb 28, 2014 10:23 pm
A simple request
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
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Daniele Varsano
- Posts: 3824
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: A simple request
Dear Javad,
thanks for reporting, we will check that.
Best,
Daniele
thanks for reporting, we will check that.
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/