Automatic vasp calculations not started due to less bands

Alloy Theoretic Automated Toolkit (ATAT)
1

Hi,

I am studying Cr-Mo system. I am using bcc lattice and have given following input for vasp.wrap file
PREC=HIGH
ISMEAR=-1
SIGMA=0.1
NSW=41
IBRION=2
ISIF=3
USEPOT=PAWPBE
KPPRA=3000
DOSTATIC
after first few structures I get a warning in the vasp output as too low bands and few highest bands are occupied. How to avoid the error?
Should I increase the k-points even more?

2

This is more a VASP question…
But the VASP parameter to increase is NBANDS. The problem is that this number depends on the structure (more atoms, larger NBANDS). You should rerun the offending structure "manually", creating a suitable vasp.wrap in each subdirectory. Of course you create a script to do that.
Before you go this way, make sure there is not a simple reason why VASP complains. Typical cause is a structure where atoms are too close.