[QE-users] scf and nscf inputs after vc-relax

Ebiyibo Collins Ouserigha ouserigha.ec at ndu.edu.ng
Sun Dec 28 15:43:21 CET 2025


Dear Users,

I am running a vc-relax calculation for some Halide Perovskite materials.
Do I have to manually update my scf/nscf inputs file with the new
CELL_PARAMETERS and ATOMIC_POSITIONS after a vc-relax calculation? Or this
data will be automatically read from the OUT folder during the scf/nscf
run?

Thank you for making out time to clarify my doubts.

Collins E. Ouserigha
Niger Delta University
Nigeria
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