Re: Unfamiliar error during electron-phonon calculation
Posted: Wed Jul 21, 2021 7:59 pm
Dear Mehmet:
In your cases, there are some missing PWs needed to fold wave functions; usually it doesn't happen, but it happens in your system due to the crystal structure.
I think that though it requires additional scf, phonon, nscf, and epw runs, the best solution is just to use the higher PW cutoff, for instance, 100 or 90 Ryd.
Sincerely,
H. Lee
In your cases, there are some missing PWs needed to fold wave functions; usually it doesn't happen, but it happens in your system due to the crystal structure.
I think that though it requires additional scf, phonon, nscf, and epw runs, the best solution is just to use the higher PW cutoff, for instance, 100 or 90 Ryd.
Sincerely,
H. Lee