Hello,
I did some NEB calculations using VASP 5.3.3 with VTST tools package. After the calculation has done, there is no OUTCAR file in any
subdirectory except the first one (/01). I get all other output files (WAVECAR, CONTCAR, OSZICAR etc.) so I manged to retrieve the energy from the OSZICAR in each image dirctory and built from it a graph that show an energy barrier, so I belive the calculation is fine.
To use nebbarrier.pl I must have the OUTCARs files... Do you have any idea what can cause this problem?
Thanks!
No OUTCAR files created
Moderator: moderators
Re: No OUTCAR files created
Check for the images tag and that you are running vasp in parallel with a binary compiled with mpi.
Re: No OUTCAR files created
Thanks for the reply.
Setting KPAR=1 (it was 16) solved the problem.
Setting KPAR=1 (it was 16) solved the problem.