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- Wed Dec 19, 2018 4:45 am
- Forum: VTSTTools
- Topic: Increasing K Points of Saddle Image from CINEB with Dimer Method
- Replies: 1
- Views: 13036
Increasing K Points of Saddle Image from CINEB with Dimer Method
Hello, I am comparing the barrier energy for a simple system (Fe adatom migrating between hollow sites on a graphene sheet) calculated with two methods: 1. Running it normally with the CINEB method with 3x3x1 grid points (SUCCESSFUL) 2. Running a rough CINEB method with 1x1x1 grid points, then runni...