Search found 1 match
Search found 1 match • Page 1 of 1
- Wed Nov 27, 2019 5:16 am
- Forum: VTSTTools
- Topic: NEB Settings for materials with complex potential energy surfaces.
- Replies: 1
- Views: 6727
Hello Henkelman Group, I'm wondering what NEB setting were used in your paper studying the perovskite to post-perovskite phase transformation in CaIrO3. I'm alsocurious if there there any difficulties as I'm having trouble getting convergence studying a solid-solid phase transformation in a similar ...