Author

Georg Kresse

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Preprint Jul 2026

VASP Plugins: Linking the Vienna ab-initio Simulation Package with Python

A Python plugin infrastructure for the Vienna ab-initio Simulation Package (VASP) that combines computational efficiency with the flexibility of high-level scripting and effectively bridges the gap between high-performance electronic structure routines and the widespread scientific Python ecosystem.

Sudarshan Vijay, M. Marsman, Georg Kresse et al. · 0 citations