Using WAVECAR from prior ionic steps after a crash
Posted: Fri Jan 26, 2018 4:23 am
I am running relaxations in VASP and occasionally the job will crash. The issue is that the first SCF step is always extremely costly unless I start from a WAVECAR, but I don't know when VASP will crash. Right now, I'm thinking about running the job in a loop and setting nsw to something small (like nsw = 20) and having it write the WAVECAR every 20 steps. Then if it crashes at step, say, 7 I can just restart using the CONTCAR but the WAVECAR from 7 steps prior (which hopefully isn't too different). Is there any better method than this?