No DIMCAR generated from dimer calc

Vasp transition state theory tools

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haopengc
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Joined: Fri Oct 14, 2016 9:45 pm

No DIMCAR generated from dimer calc

Post by haopengc »

My dimer calculation can proceed smoothly but without generating DIMCAR at the end. Is there any reason or any setting that can get DIMCAR generated? The VASP version we are using is 5.3.3.
graeme
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Re: No DIMCAR generated from dimer calc

Post by graeme »

Make sure that you have the VTST code linked into your vasp binary. Check for a line reporting the VTST version in your OUTCAR if you are unsure.
haopengc
Posts: 2
Joined: Fri Oct 14, 2016 9:45 pm

Re: No DIMCAR generated from dimer calc

Post by haopengc »

Thank you so much for your suggestion. After I check everything, you are right, our VASP has not been linked to the code. Thank you very much for pointing it out!
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