VASP error when using many atoms in large supercell
Posted: Thu Oct 18, 2012 11:10 am
This is the error that I'm concerned about:
WARNING: CHECK: NIOND is too small
I'm using 450 atoms in my supercell.
I have two questions and right now I'm more concerned about the first one:
1) Can I trust the final "energy(sigma->0)" that I'm getting???
2) What is the solution? I saw a 2006 post that said to recompile VASP... I can do that if the answer to this question is the same... but please, I would like to know the answer to the first question because I didn't notice this error until a couple days ago and I have a lot of previous results with this large supercell.
Thanks!!!!
WARNING: CHECK: NIOND is too small
I'm using 450 atoms in my supercell.
I have two questions and right now I'm more concerned about the first one:
1) Can I trust the final "energy(sigma->0)" that I'm getting???
2) What is the solution? I saw a 2006 post that said to recompile VASP... I can do that if the answer to this question is the same... but please, I would like to know the answer to the first question because I didn't notice this error until a couple days ago and I have a lot of previous results with this large supercell.
Thanks!!!!