[QE-users] Initial density and wfc guesses from a converged calculation with coarser k mesh
Yang Liu
rabbitkiller at 163.com
Tue Aug 20 09:04:31 CEST 2024
Dear QE users
For systems hard to converge, is it possible to use the density and wfcs from a converged calculation with coarser k mesh as initial guesses for refined k mesh calculation?
I tried with "startingpot=file, startingwfc=file", but it seemd that QE accepted the density, but refused the wfcs...
Regards & Thanks
Mr. Yang Liu
Fudan Univ., Shanghai, China
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