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- Sun Aug 31, 2014 8:56 am
- Forum: VTSTTools
- Topic: Structural Distortion during NEB run
- Replies: 0
- Views: 19617
Structural Distortion during NEB run
Dear Admin and users, I am facing a strange problem, during the NEB run, the structure of images gets distort. I wonder if anyone has faced this kind of problem? I am studying the diffusion of a single vacancy in MoS2 type systems. Unit cell size is ~ 13.4 A along x and y direction. My INCAR file is...