Dear Dr. Tran,
I see a workaround for structural relaxation for YS-PBE0.
PBE optimization with "min_lapw " or "run_lapw . -min' will give
relaxed structure at different volumes.
Make another dir and initialize the case and copy all relaxed structure to
pwd and do optimization with
I don't know for sure, but it might be that the /localscratch permission
denied errors make the parallel calculations broken.
To fix that, the cluster administer would probably have to give you file
permission to use /localscratch or /localscratch would have to be
changed to a directory that
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