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by shakilahamed1997
Thu Dec 05, 2019 5:44 am
Forum: eOn
Topic: how to submit job for eon with vasp
Replies: 3
Views: 4041

Re: how to submit job for eon with vasp

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 ...