5.4. QUANTUM ESPRESSO

5.4.1. SUMMARY

Open-source program for first-principles calculation based on pseudo-potential and plane-wave basis. This package performs electronic-state calculation with high accuracy based on density functional theory. In addition to basic-set programs, many core-packages and plugins are included. This package can be utilized for academic research and industrial development, and also supports parallel computing.

5.4.2. LICENSE

GNU GPL v2

5.4.3. OFFICIAL PAGE

http://www.quantum-espresso.org/

5.4.4. MateriApps URL

https://ma.issp.u-tokyo.ac.jp/en/app/740