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by vivek22
Tue Nov 12, 2019 3:31 pm
Forum: VTSTTools
Topic: Unable to understand nebbarrier.pl result
Replies: 1
Views: 4870

Unable to understand nebbarrier.pl result

I am trying to find out the diffusion pathway and barrier energy of Li in Al2O3 amorphous .But why is forces and distance are all zero in nebbarrier result.New user of NEB. 1 0 0.000000 0.000000 0.000000 0 2 1 0.000000 6.443626 0.000000 1 3 2 0.000000 13.902452 0.000000 2 4 3 0.000000 19.860677 0.00...