exercises:common:neb
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Manual see: [[https:// | Manual see: [[https:// | ||
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===== Introduction ===== | ===== Introduction ===== | ||
Consider a potential energy surface (PES) as below, the goal is to find the saddle point, transition structure between reactant and prodcut. The commonly-used algorithms include [[https:// | Consider a potential energy surface (PES) as below, the goal is to find the saddle point, transition structure between reactant and prodcut. The commonly-used algorithms include [[https:// |
exercises/common/neb.txt · Last modified: 2022/09/08 21:16 by jglan