[QE-users] Error in bands.x "c_bands: 1 eigenvalues not converged"

[Pietro Davide Delugas]

Hello
It is a warning, not an error. In case of an error, the program stops and doesn't get to the JOB DONE printout.
In these cases, the upper eigenvalues are usually those that are not converged and are usually close to convergence. It might be useful to show in the warning which eigenvalue and how much the estimated error on it is.
Pietro
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From: users <users-bounces at lists.quantum-espresso.org> on behalf of jkmodi22 at iitk.ac.in <jkmodi22 at iitk.ac.in>
Sent: Tuesday, January 28, 2025 05:48
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: [QE-users] Error in bands.x "c_bands: 1 eigenvalues not converged"

Dear QE users

I get an 'error' while running bands.x command.

c_bands:  1 eigenvalues not converged

I want to know if this is really an error or a warning message which can
be ignored. It appears at many places in output file band.out. The output
file ends with "  End of band structure calculation".

Can this be ignored?

Thanks and regards
Jainandan Modi
Ph.D. Scholar
IIT Kanpur

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