I’m wondering if there is a built-in way to restart a runstruct_vasp calculation from the current CONTCAR file. I have some large calculations that stopped because of a queuing system time limit. I can’t seem to find any information about doing this; I’m thinking the easiest way to do this is to write a script that converts a CONTCAR file a str.out file (or just replace the POSCAR section of the vasp.in file and add -ng to runstruct_vasp). Anyone have a better idea?
A simple way is
runstruct_vasp -ex
cp str_relax.out str_hint.out
Rerun your runstruct_vasp script.