Bug in setup report
Posted: Mon Nov 06, 2017 11:26 am
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
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