• License: GPL-2.0-only
• Home: https://github.com/epfl-theos/koopmans-kcp
• Development: https://github.com/epfl-theos/koopmans-kcp
• Documentation: https://koopmans-functionals.org
• 3547 total downloads
• Last upload: 6 months and 7 days ago

Description

koopmans-kcp is an implementation of Koopmans functionals in Quantum ESPRESSO v4.1 with full orbital optimization. Instead of using this as a stand-alone code, it is strongly recommended you install and use the larger koopmans package https://koopmans-functionals.org.