Dear Yambo developers
I want report you this simple bug in the setup report.
In the report yambo writes the k-points in two different units cc and rlu.
For example
*X* K [19] : 0.443322 0.767857 0.000000 ( cc) * Comp.s 6066 * weight 0.01389
0.333333 0.500000 0.000000 (rlu)
but there is a mistake in this output because the reported point is not in rlu but in iku
as you can easily verify by comparing its value to the QE output.
Best
Claudio
Bug in setup report
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, Daniele Varsano
- claudio
- Posts: 528
- Joined: Tue Mar 31, 2009 11:33 pm
- Location: Marseille
- Contact:
Bug in setup report
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com