[Pw_forum] NEB initial path change

[Dong-Hee Lim]

Dear PWscf members

I was wondering if I can manually specify the initial path of NEB calculation.
Manual says that the initial path is obtained interpolating between the 
specified configurations so that images are equispaced.

Can I make the initial images unequispaced? Since I approximately know 
the final path of a reaction, I think the NEB calculation would be 
finised earlier if I make the initial path similar to the final path.

Manual also says we can specify "intermediate_image". Can I do what I 
want using "intermediate_image" option, or does "intermediate_image" 
mean another geometry optimized configuration between the initial and 
final images?

Thank you,
Dong-Hee Lim

-- 
Dong-Hee Lim, Ph.D. candidate
Dept. of Civil and Environmental Engineering
University of Michigan