How to save CHGCAR in each electronic scf step and continue from an previously unfinished job?

Message

fzcsydl · #1 Post by **fzcsydl** » Mon Aug 01, 2011 7:24 pm

Dear all,

I found that VASP only writes the CHGCAR file at the end of the a successful calculation. Does anyone know how to make VASP written the CHGCAR and WAVCAR files in each electronic scf step such that I can continue my job from these files next time even the job fails due to time limit.

Thanks a lot.

boris · #2 Post by **boris** » Mon Aug 01, 2011 7:26 pm

Hi

I don't think you can do that without modifying the source code.

Regards