Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
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Dec 10, 2024 - Python
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koopmans-functionals
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Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO
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Oct 7, 2022 - Fortran
Fork of ASE https://gitlab.com/ase/ase with added support for performing Koopmans functional calculations with Quantum ESPRESSO
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Dec 9, 2024 - Python
koopman operator examples
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Sep 17, 2024 - Jupyter Notebook
Implementation of Koopmans functionals with full orbital optimization in Quantum ESPRESSO v4.1
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Nov 15, 2024 - Fortran
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