[CP2K-user] Geometry and cell optimization
Dongliang Wu
longin... at gmail.com
Mon May 4 06:22:15 UTC 2020
Hi everyone,
I came from VASP and I'm new to CP2K. I want to do cell relaxation and
geometry optimization. In one of the examples on website, the runtype is
set to Energy, and there are keywords of GEO_OPT and CELL_OPT. But does the
output give me the geometry and coordinates of my system or just the
energy? Im' not sure how to get the relaxed lattice parameter.
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