whether my vasp.4.6.28 contain the cNEB?

Vasp transition state theory tools

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lanjh
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whether my vasp.4.6.28 contain the cNEB?

Post by lanjh »

hi, everyone!
My version of vasp is .4.6.28. I don't know whether I need to recompile the vasp program if I want to use the cNEB. Can any one give me some help?
graeme
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Post by graeme »

Yes, you will need to recompile vasp with the climbing-image code. The code and instructions for this can be found at http://theory.cm.utexas.edu/vtsttools/downloads/
lanjh
Posts: 24
Joined: Sun Dec 24, 2006 12:59 pm

Does the 4.6.28 version of vasp contain the neb code itself?

Post by lanjh »

Maybe I should at first make clear that whether 4.6.28 version of vasp has the neb code embedded originally!
Because I have not implemented the neb code so far.
thanks
graeme
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Post by graeme »

The vasp code has a basic version of the NEB that you can use without any additional code. Our code has an improved tangent and the climbing image modification, as well as force-based second order optimizers.
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