The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
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Updated
Jun 17, 2024 - Fortran
The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
Matrix elements of NN+3N interactions based on chiral effective field theory
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
A parallel Fortran program for calculation of ro-vibrational energy levels and lifetimes of ABA-molecules.
My own devel version of Quantum-Espresso
An interface for ELK-Wannier90 calculations
ParaGauss GPL, V3.2.1+
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