Practical considerations for transition state finding calculations: Difference between revisions
(Created page with "This page details a few practical considerations for obtaining accurate and reliable transition state energies using VASP.") |
No edit summary |
||
| Line 1: | Line 1: | ||
This page details a few practical considerations for obtaining accurate and reliable transition state energies using VASP. | This page details a few practical considerations for obtaining accurate and reliable transition state energies using VASP. | ||
== NEB calculations == | |||
=== Restart with a better guess for the initial and final state configurations === | |||
Revision as of 11:10, 7 February 2024
This page details a few practical considerations for obtaining accurate and reliable transition state energies using VASP.