Possibly too few bands at point 746 0.00000 0.50000 0.00000 What is
the cause of this,
The perturbation theory used by the phonon code includes a sum over the
partially occupied states around the Fermi energy. The code is warning
you that there may not be enough bands over the Fermi energy for this
sum to be properly converged. I.e. that the occupation of the higher
band is still significantly higher than zero.
how to solve this problem,
Increase nbnd in the input of pw.x and repeat this part of the phonon
calculation
will it have an impact on the final result?
The only way to know for sure, is to repeat the calculation with more bands.
hth
Thanks and Regards Liu R F The Research Scholar, LZJTU China
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--
Dr. Lorenzo Paulatto
IR IMPMC - CNRS UMR 7590 / Sorbonne Université / MNHN
phone: +33 (0)1 442 79822 / telegram: lpaulatto
http://www.impmc.upmc.fr/~paulatto/ - https://anharmonic.github.io/
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
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Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
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