A simple request

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A simple request

Postby javad » Wed Sep 21, 2016 2:25 pm

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
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
javad
 
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Re: A simple request

Postby Daniele Varsano » Wed Sep 21, 2016 2:27 pm

Dear Javad,
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/
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Daniele Varsano
 
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