Topic: "koopmans-functionals"
epfl-theos/koopmans
Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
Language: Python - Size: 539 MB - Last synced at: 17 days ago - Pushed at: 17 days ago - Stars: 16 - Forks: 7
elinscott/ase_koopmans
Fork of ASE https://gitlab.com/ase/ase with added support for performing Koopmans functional calculations with Quantum ESPRESSO
Language: Python - Size: 23.9 MB - Last synced at: 29 days ago - Pushed at: 29 days ago - Stars: 3 - Forks: 2
epfl-theos/koopmans-qe-utils
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO
Language: Fortran - Size: 72.3 KB - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 2 - Forks: 0
MizuhoAOKI/koopman_operator
koopman operator examples
Language: Jupyter Notebook - Size: 2.22 MB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 1 - Forks: 0
epfl-theos/koopmans-kcp
Implementation of Koopmans functionals with full orbital optimization in Quantum ESPRESSO v4.1
Language: Fortran - Size: 312 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 0 - Forks: 0