Exabyte.io Tutorial: NEB Reaction Profile using VASP

Exabyte.io Tutorial: Calculate Reaction Profile Using the Nudged Elastic Band (NEB) method

In this tutorial, we explain how to calculate the energy reaction profile and activation barrier for the multi-dimensional energy space of chemical reactions via the Nudged Elastic Bands (NEB) method, by making use of the VASP simulation engine coupled with a manually-generated interpolated set.

Links:

1. Calculate Reaction Profile Using the Nudged Elastic Band (NEB) method with VASP: https://docs.exabyte.io/tutorials/dft/chemical/reaction-profile-vasp/
2. Materials Modeling 2.0: https://exabyte.io/
3. Exabyte.io Platform: https://platform.exabyte.io/register
4. Exabyte.io Documentation: https://docs.exabyte.io/