j-iwata / RSDFTLinks
☆12Updated 7 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☆19Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated this week
- Natural-orbital Functional based on PySCF☆10Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 months ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Updated last year
- Embedding module for VASP and tools for its use.☆10Updated 7 months ago
- Tutorial files for alamode☆13Updated last year
- WEST code☆26Updated 2 months ago
- Pythonic electronic structure theory.☆20Updated 4 months ago
- Generate isosurface from density data☆14Updated 5 months ago
- SOC integrals generator with atomic mean field approximation☆10Updated 3 months ago
- Multipurpose ab initio MD program.☆10Updated last month
- D3Q + thermal2☆26Updated 3 weeks ago
- DFT-D3 interface☆12Updated 2 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Updated 2 weeks ago
- ☆20Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Semiemperical quasiharmonic thermal elasticity☆20Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆29Updated this week
- A poor man's density functional theory program☆13Updated 11 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 4 months ago
- Simulation package for light-matter interaction.☆25Updated 5 months ago
- Donostia Natural Orbital Functional Software☆20Updated last month
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Updated last month
- Pseudopotential Studio☆20Updated 4 years ago
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆24Updated this week
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 9 months ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- gammcor code☆11Updated 2 weeks ago