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by nyShi
Tue Aug 04, 2020 1:12 pm
Forum: VTSTTools
Topic: Confusion about NEB calculation
Replies: 1
Views: 4547

Confusion about NEB calculation

Dear Professor, I am a beginner of VASP software.Recently, when I was learning to calculate the energy barrier of the S atom crossing an edge of the Ni55 cluster, several problems appeared.I can’t figure out the reason by myself, So i hope to find suggestions and solutions here. The problem is that ...