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by ooter
Wed May 23, 2018 5:52 pm
Forum: VTSTTools
Topic: Images keep moving up to higher energies and forces
Replies: 0
Views: 19305

Images keep moving up to higher energies and forces

Dear Prof. Henkelman and Community, I manually construct the initial path by linear interpolation. The first 30 or so iterations appear to move the path towards the MEP judging by the energies and forces of the images. But after some iterations, the fifth image starts moving up to higher energies an...