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by bzhangmse
Wed Jun 27, 2018 5:41 pm
Forum: VTSTTools
Topic: NEB with VASP vdw correction
Replies: 1
Views: 11718

NEB with VASP vdw correction

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 ...