NEB Method

For NEB method, we actually support to visualize the reaction path by concentrate its images’ POSCARs or CONTCARs, and likewise the other task, one can do this by:

gvasp movie neb

and the movie.arc will output in the workdir.

specify position

Through the -p/--pos argument, You can choose which type of files to construct the reaction path, i.e., POSCAR or CONTCAR, default type is POSCAR.

specify name

Certainly, if you don’t like the prefix (“movie”), you can also specify another name to substitute it, likewise the optimization task.