| 公式サイト | https://www.vasp.at |
|---|---|
| 公開度 | ☆☆☆ |
| ライセンス |
商用・プロプライエタリ（VASP Software GmbHより取得） |
| 開発者 |
Developers: VASP Software GmbH, originally developed by the group of Prof. Georg Kresse at the University of Vienna. |
| 関連論文 |
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| その他 |
Description: VASP has become one of the most reliable and versatile electronic-structure simulation tools in materials science and condensed matter physics. It provides state-of-the-art algorithms for energy minimization, force calculations, and stress evaluation. Owing to its robustness and efficiency, VASP serves as a standard reference for DFT benchmarking and is extensively integrated with other tools such as VASPSol,LOBSTER, ASE, and pymatgen for post-processing and data-driven materials analysis. |
VASP
The Vienna Ab initio Simulation Package (VASP) is a first-principles computational software based on density functional theory (DFT), the projector augmented-wave (PAW) method, and plane-wave basis sets. It is widely used for electronic structure calculations, geometry optimizations, molecular dynamics simulations, and materials property predictions. VASP enables highly accurate modeling of solids, surfaces, and interfaces, and supports advanced features such as hybrid functionals, GW calculations, and ab initio molecular dynamics (AIMD).
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