WARNING: CHECK: NIOND is too small

Message

jsfilhol · #1 Post by **jsfilhol** » Mon Nov 20, 2006 9:59 am

Hello,

We have been calculating huge structures (403 atoms) and we have encountered a warning for the first time in the vasp OUTCAR
WARNING: CHECK: NIOND is too small
at each geometry optimization, but the job is still runing and converges toward something physical.
Has someone heard of such a problem ?

Thanks

JS

#2 Post by **admin** » Mon Nov 20, 2006 2:10 pm

NIOND is set to 256 (as a parameter) in dyna.F. Please increase this number (PARAMETER (NIOND=256) ) and recompile vasp

Tyx · #3 Post by **Tyx** » Mon Feb 11, 2008 10:40 am

To revive this: Ok, that solution works fine, but how about the normal-looking results obtained before the change? Can we trust those forces?

Thanks
Tyx