No OUTCAR files created

Vasp transition state theory tools

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eyuval
Posts: 2
Joined: Mon Oct 31, 2016 8:33 pm

No OUTCAR files created

Post by eyuval »

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!
graeme
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Re: No OUTCAR files created

Post by graeme »

Check for the images tag and that you are running vasp in parallel with a binary compiled with mpi.
eyuval
Posts: 2
Joined: Mon Oct 31, 2016 8:33 pm

Re: No OUTCAR files created

Post by eyuval »

Thanks for the reply.
Setting KPAR=1 (it was 16) solved the problem.
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