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No DIMCAR generated from dimer calc
Posted: Fri Oct 14, 2016 10:18 pm
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.
Re: No DIMCAR generated from dimer calc
Posted: Sat Oct 15, 2016 1:51 am
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.
Re: No DIMCAR generated from dimer calc
Posted: Mon Oct 17, 2016 8:32 pm
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!