question about maps

Alloy Theoretic Automated Toolkit (ATAT)
1

Dear Prof. Dr. A. van de Walle,

I use maps to get the curve of formation energy vs concentration.In the process of calculation,some errors occur in a structure(error about vasp parameters).So,I stop the calculation,with vasp.in modified.Is there a way that I can continue the calculation? Or I will restart the calculation .If there are other errors that I have not found yet,I will continue stopping the calculation ,and then restart the calculation.I feel it is a waste of time.

2

When restarting a vasp run with the runstruct_vasp script, you can copy the str_relax.out to str_hint.out to so it can continue with a previously pre-relaxed geometry.
If str_relax.out does not exist, you may be able to create it with
runstruct_vasp -ex
Don’t forget to remove the "error" file - otherwise maps will always ignore that directory.