WARNING: CHECK: NIOND is too small with the VASP 5.3.3
Posted: Tue Nov 12, 2013 6:45 pm
Hello,
We want to perform some DFT calculations using VASP code (VASP 5.3.3) with simulation boxes which contain 662 atoms .
During our first calculation, 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.
We would like to modified these NIOND value in the VASP code (v. 5.3.3). In this new version, we don't find these variable in the code. How We can do this?
Thanks for your help.
SL
We want to perform some DFT calculations using VASP code (VASP 5.3.3) with simulation boxes which contain 662 atoms .
During our first calculation, 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.
We would like to modified these NIOND value in the VASP code (v. 5.3.3). In this new version, we don't find these variable in the code. How We can do this?
Thanks for your help.
SL