Code Name | Field | Owner | Access | OS | Source? | Github? |
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VASP | Atomistics / DFT | PSU | NSE (Ballinger, Li, Yildiz) | Linux | Yes |
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The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.
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