Ask for a NEB/Dimer question!

Vasp transition state theory tools

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langes
Posts: 6
Joined: Tue Apr 03, 2007 2:07 pm

Ask for a NEB/Dimer question!

Post by langes »

Hallo, sir!
I'd like to do a NEB computation! I install the NEB and Dimer code with the website http: //theory.cm.utexas.edu/vtsttools/downloads/.
And I use the example of "http://theory.cm.utexas.edu/vtsttools/dimer/" for a test!
Yes,I'ts running!But there are no DIMCAR in output data!
The question is why it is?It's needed a parallel pc?I use a single pc!
Or I need to compile the code again???

I appreciate your help!
langes
graeme
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Post by graeme »

The dimer method does not need to run in parallel. Did you rebuild your binary, following these instructions at:

http://theory.cm.utexas.edu/vtsttools/downloads/

Try grepping for vtst in the OUTCAR to see if the vtst code is built into your binary.
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