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Dear all,
Can anyone suggest an example to show how to use NEB to calculate transition states of a chemical reaction in VASP? Thank you.

Hi
Are you talking about the INCAR file or what?

You may want to check this:
http://theory.cm.utexas.edu/vtsttools/neb/

Cheers

Dear Kambiz,
I am talking about an example package which can be used to verify the NEB running in VASP.

Hi,
to run NEB you have to have the output files from the reactant and product reactions, and then you need CONTCAR and OUTCAR files from these calculations plus the other main input files as KPOINS, POTCAR, submit_rett.vasp and INCAR but the INCAR file must be set with parameters for NEB run.
let me know if you have problem running it.

You can also run NEB with VASP from ASE: https://listserv.fysik.dtu.dk/pipermail ... 01027.html
Follow the tutorial first: https://wiki.fysik.dtu.dk/ase/tutorials ... usion.html