Geometry optimization with dispersion correction vdw 3


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Are you sure that there is enough space under /tmp?

I would apply the following modifications to the input file
1) comment out (e.g. insert the '#' character) to the scratch_dir line
2) rename the start line to something different, e.g.
start comp14_OPT_PBE-D3_new

This would avoid any conflict with previous runs.