[CP2K-user] [CP2K:17255] Cell optimization too slow
Anjali ganai
jk831183 at gmail.com
Thu Jun 30 08:31:33 UTC 2022
Dear All,
I'm trying to run cell optimization for graphene but the job runs very
slowly even after 300 steps the cell optimization hasn't completed.
I tried omitting a few things like PRESSURE_TOLERANCE and EXTERNAL
_PRESSURE, but was of no help.
My graphene unit cell is cubic and contains two atoms.
It would be of great help if someone suggest me something on what things to
change in the input file to get the cell optimization done.
(Input files attached)
Regards
Anjali
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