j-iwata / RSDFTLinks
☆13Updated 11 months ago
Alternatives and similar repositories for RSDFT
Users that are interested in RSDFT are comparing it to the libraries listed below
Sorting:
- SPMS table of pseudopotentials☆21Updated 3 years ago
- An interface for ELK-Wannier90 calculations☆16Updated 5 years ago
- Embedding module for VASP and tools for its use.☆10Updated 11 months ago
- Natural-orbital Functional based on PySCF☆10Updated last year
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Updated last year
- Correlation consistent Gaussian basis sets for solids☆25Updated 8 months ago
- Tutorial for Wannier2022☆16Updated 2 months ago
- SOC integrals generator with atomic mean field approximation☆10Updated 7 months ago
- Simulation package for light-matter interaction.☆26Updated 9 months ago
- Density matrix embedding theory for periodic systems☆18Updated 4 years ago
- Tutorial files for alamode☆13Updated last year
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 2 weeks ago
- A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files☆16Updated 5 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Updated 5 months ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- A very simple quantum chemistry program☆10Updated 7 years ago
- DFT-D3 interface☆12Updated 2 years ago
- Semiemperical quasiharmonic thermal elasticity☆20Updated 2 months ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆18Updated 6 years ago
- D3Q + thermal2☆26Updated 3 months ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 2 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated 2 months ago
- Pythonic electronic structure theory.☆23Updated last week
- Calculating electron-phonon couplings with DFTB.☆10Updated last week
- WEST code☆31Updated 6 months ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated 8 months ago
- Personal collection of scripts to handle FHI-aims calculations.☆11Updated last year
- ☆13Updated 3 weeks ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 5 years ago