Hello,
I would like to test the NEB procedure described on this page " Nudged Elastic Band (NEB) Calculations — Siesta Documentation ". However, I haven’t been able to find any of the scripts and input files anywhere. Where can I get these please?
Hello,
General instructions on where to find the files of the tutorials are on Setting up the local working environment for the tutorial exercises — Siesta Documentation .
If you just want to access the NEB files directly, they can be found here: docs/tutorials/neb/work-files · master · Alberto Garcia / siesta-docs · GitLab .
Kind regards,
Many thanks for your help!