f-fathurrahman / ffr-PWDFTLinks
A poor man's density functional theory program
☆13Updated 11 months ago
Alternatives and similar repositories for ffr-PWDFT
Users that are interested in ffr-PWDFT are comparing it to the libraries listed below
Sorting:
- D3Q + thermal2☆27Updated 2 weeks ago
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- Python modules for electron–phonon models☆36Updated 2 weeks ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Updated last week
- Pythonic electronic structure theory.☆19Updated 4 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 9 months ago
- An interface for ELK-Wannier90 calculations☆16Updated 4 years ago
- Reference implementation of GW☆13Updated 6 years ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆62Updated this week
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆21Updated last year
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆33Updated last month
- ☆21Updated 2 weeks ago
- DFT simulation of He atom☆13Updated 4 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 4 months ago
- A tool for creating and manipulating tight-binding models.☆40Updated 7 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 7 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆50Updated this week
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- Multiple Scattering Theory code for first principles calculations☆69Updated last week
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆15Updated last week
- n2v: Density-to-potential Inversion Suite☆23Updated 3 years ago
- QE-GIPAW for Quantum-Espresso (official repository)☆36Updated last month
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- Pseudopotential Studio☆20Updated 4 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆45Updated 2 months ago