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- Fri Jun 18, 2021 1:38 pm
- Forum: VTSTTools
- Topic: Nudged Elastic Band Calc.
- Replies: 1
- Views: 6134
Nudged Elastic Band Calc.
Hi there, I've never used VTST before and am having problems just getting it to run. I was able to generate the images on the command line, but now I want to do the relaxation. When I usually run VASP, I have this in my job script: module swap intel intel/17.0.4 module load vasp/5.4.4.pl2 ibrun tacc...