WARNING: CHECK: NIOND is too small

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
jsfilhol
Newbie
Newbie
Posts: 13
Joined: Mon Nov 13, 2006 3:30 pm

WARNING: CHECK: NIOND is too small

#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
Last edited by jsfilhol on Mon Nov 20, 2006 9:59 am, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

WARNING: CHECK: NIOND is too small

#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
Last edited by admin on Mon Nov 20, 2006 2:10 pm, edited 1 time in total.

Tyx

WARNING: CHECK: NIOND is too small

#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
Last edited by Tyx on Mon Feb 11, 2008 10:40 am, edited 1 time in total.

Post Reply