Neb with reax

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#1

Dear Lammps-users,

I am trying to do a neb calculation with reax, my input file is attached (with coordinates files).

Probably I am doing a very "beginner" mistake, the error message is:

in.diffusion (621 Bytes)

coords.final (1.82 KB)

coords.initial (2.37 KB)

#2

The neb command takes 5 numeric args before the word “final”.

You have 4.

Steve