---
# System prepended metadata

title: NEB (Nudged Elastic Band) method
tags: [Quantum Chemistry]

---

###### tags: `Quantum Chemistry`

# NEB (Nudged Elastic Band) method

NEB method is a method to search for the path with lowest energy, among the reaction paths connecting the initial and final state.
The search is done by,
1. **Dividing** the linear path connecting the initial and final state (representated in 3N dimension phase space where N is number of atoms) by several points
2. Connect the points with virtual springs 
3. Search the lowest energy path based on　forces applied to the springs.

## Referneces
[Study on Dynamics of Super Dislocation in L1$_2$ structure based on Phase Field Simulation and NEB Calculation p.23](https://www1.gifu-u.ac.jp/~ysr_labo/pdf/修論2011_02_蟹川_PF_NEB.pdf)

[VTSTTools Nudged Elastic Band](https://theory.cm.utexas.edu/vtsttools/neb.html)