f-fathurrahman / ffr-PWDFT
A poor man's density functional theory program
☆13Updated 2 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for ffr-PWDFT
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated last month
- Python modules for electron–phonon models☆29Updated last week
- Library for local orbital scaling correction (LOSC).☆15Updated 4 months ago
- D3Q + thermal2☆22Updated this week
- Pythonic electronic structure theory.☆12Updated this week
- Real-time TDDFT for Quantum-Espresso☆23Updated last year
- DFT simulation of He atom☆10Updated 3 years ago
- SPMS table of pseudopotentials☆19Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Correlation consistent Gaussian basis sets for solids☆22Updated 6 months ago
- Reference implementation of GW☆13Updated 5 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated this week
- ☆17Updated last week
- WEST code☆18Updated 3 weeks ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated 9 months ago
- PRinceton Orbital-Free Electronic Structure Software☆28Updated 4 years ago
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- TDEP Tutorials☆20Updated last year
- Julia codes to play with Phonons☆22Updated 6 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆19Updated 4 months ago
- Hartree-Fock Python☆17Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆31Updated 3 years ago
- QE-GIPAW for Quantum-Espresso (official repository)☆32Updated 2 weeks ago
- software package for tight-binding DFT calculations on ground and excited states of molecules☆9Updated 4 years ago
- Draft for my book about implementing density functional theory☆18Updated 4 months ago
- Add on-site SOC to Wannier Hamiltonian.☆14Updated 3 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 3 weeks ago