cndaqiang / ONCVPSP_LDA Star 14 Code Issues Pull requests Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format density-functional-theory quantum-espresso pseudopotentials norm-conversing local-density-approximation Updated Dec 15, 2025 Python
real-space / AngstromCube Star 9 Code Issues Pull requests A parallel and GPU-accelerated Code for Real-Space All-Electron Linear-Scaling Density Functional Theory spectrum openmp density-functional-theory gpu-acceleration finite-difference sparse-linear-systems electron-density sparse-matrix hamiltonian linear-solvers electronic-structure electronic-structure-calculations sparse-linear-solver pseudopotential cuda-programming projector-augmented-wave mpi-parallelization non-collinear-magnetism local-density-approximation tfqmr Updated Aug 7, 2026 C++
vitelot / DiracAtom Star 0 Code Issues Pull requests Solve Dirac equation for the electrons in an isolated atom density-functional-theory dirac-equation local-density-approximation relativistic-quantum-mechanics non-collinearity Updated Jun 11, 2026 C
pwborthwick / kspy-lda Star 0 Code Issues Pull requests Density Functional Theory Integration Grid and Local Density Approximation density-functional-theory numerical-integration local-density-approximation Updated Oct 5, 2022 Python