OUTCAR from LCLIMB=TRUE

Vasp transition state theory tools

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mmg016
Posts: 24
Joined: Mon Jul 03, 2017 9:40 am

OUTCAR from LCLIMB=TRUE

Post by mmg016 »

Dear all,

I am not sure if the VTSTTOOLS has been compiled with the VASP version I use on the supercomputing cluster. I have emailed my system admin to confirm but haven't heard back. I am still waiting for his response.

In the meanwhile, I submitted a test NEB calculation with the tag 'LCLIMB = TRUE' in the incar with just 20 NSW. The calculation did not converge obviously, but the simulation did run and produced OUTCAR among other results.

My question is, is there any {grep xxx OUTCAR} way to check if the VTST tools has indeed been used in my calculation.

Thank you in advance,
M. M. Ghouri
graeme
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Re: OUTCAR from LCLIMB=TRUE

Post by graeme »

Yes, you can grep for VTST; it should print something like: VTST: version 3.1, (03/28/14)
irrespective of what calculation you are doing.
mmg016
Posts: 24
Joined: Mon Jul 03, 2017 9:40 am

Re: OUTCAR from LCLIMB=TRUE

Post by mmg016 »

Thank you.
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