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whether my vasp.4.6.28 contain the cNEB?
Posted: Thu Dec 28, 2006 1:54 am
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?
Posted: Thu Dec 28, 2006 5:24 am
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/
Does the 4.6.28 version of vasp contain the neb code itself?
Posted: Sun Apr 08, 2007 12:57 am
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
Posted: Sun Apr 08, 2007 1:25 am
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.