Hi, all!
Does anyone know whether vtst is compatible with VASP vdw correction (optB88-vdW)? I'm runing a NEB calculation. Unfortunately, it doesn't converge after almost 80 iteration. There are 14 images in total. I already check the bond length in initial images are not too short. I'm guessing the ...
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- Wed Jun 27, 2018 5:41 pm
- Forum: VTSTTools
- Topic: NEB with VASP vdw correction
- Replies: 1
- Views: 12359