A simple request

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Joined: Fri Feb 28, 2014 10:23 pm

A simple request

Post by 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

Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran

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Daniele Varsano
Posts: 2374
Joined: Tue Mar 17, 2009 2:23 pm

Re: A simple request

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

Dear Javad,
thanks for reporting, we will check that.

Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale

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