[QE-users] Possibly too few bands at point 2 message in DFT+U+V calculation
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Thu Nov 25 03:47:50 CET 2021
Dear Dr. Timrov,
I have set verbosity = high in QE input file without specifying nbnd.
In the HP output file, I am getting below two messages:
- Possibly too few bands at point 2
If this is really related to QE input file then why I do not see any such
message in QE output file?
Should we set nbnd in QE input file or we can ignore it?
- Number of k-points >= 100: set verbosity='high' to print the bands.
I do not find q verbosity tag in "hp.x input description" file instead I
found iverbosity. Anyway, it should not affect the final U+V value as we
do not see any effect of verbosity on band structure calculation. RIght? or
I should set iverbosity=2 in HP input file?
Thank you for guiding me.
Regards
K C Bhamu
Postdoctoral Fellow
School of Chemical Engineering
University of Ulsan
South Korea
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211125/e4dcabbf/attachment.html>
More information about the users
mailing list