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- Wed Nov 21, 2018 11:22 pm
- Forum: VTSTTools
- Topic: force is always zero when running nebef.pl
- Replies: 1
- Views: 13388
force is always zero when running nebef.pl
Hi, I am new to Nudged Elastic Band calculations. I am trying to find the migration energy barrier for a vacancy in HCP lattice. After running nebmake.pl and creating sub directories for the images, I ran nebef.pl script for checking the force convergence after some number of ionic steps. The force ...