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- Thu Dec 05, 2019 5:44 am
- Forum: eOn
- Topic: how to submit job for eon with vasp
- Replies: 3
- Views: 17686
I am constructing a potential energy surface by calculating energy at different geometries and fitting them to an analytic function. I am using VASP package for calculating the energies. I have to generate more than 1000 points. I have different set of INCAR, POSCAR, POTCAR and KPOINTS files stored ...