UT theoretical chemistry code forum

I mean the 4 images between the reactant and product became distorted after about 80 SCF steps. I don't know whether it is the problem of the program or there are some useful tips to avoid it?

Hi, I met with a weird problem when I used NEB to calculate the barrier of a surface reaction. I follow the procedures of NEB exactly. 1. use nebmake.pl to generate some imgaes. 2. use nebmovie.pl to see whether these images are reasonable. 3. run vasp. 4. check the images again using nebmovie.pl ...

Dear All

I am a new user, could anybody tell me which references are required for publication using NEB method? thanks