Practical considerations for transition state finding calculations: Difference between revisions
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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.