rohkeaID / elk-w90-improvedLinks
An interface for ELK-Wannier90 calculations
☆16Updated 5 years ago
Alternatives and similar repositories for elk-w90-improved
Users that are interested in elk-w90-improved are comparing it to the libraries listed below
Sorting:
- SOC integrals generator with atomic mean field approximation☆10Updated 5 months ago
- ☆13Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 7 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- An MPO-based DMRG code for Quantum Chemistry☆13Updated 7 years ago
- SPMS table of pseudopotentials☆21Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Density matrix embedding theory for periodic systems☆18Updated 4 years ago
- ☆11Updated 4 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Updated 5 years ago
- Pseudopotential Studio☆20Updated 4 years ago
- Reference implementation of GW☆13Updated 6 years ago
- Python modules for electron–phonon models☆37Updated last month
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Updated 3 years ago
- WEST code☆30Updated 5 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 3 weeks ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆39Updated 3 weeks ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Updated 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
- Pythonic electronic structure theory.☆21Updated 3 weeks ago
- Donostia Natural Orbital Functional Software☆22Updated last week
- Repository for PseudopotentialLibrary.org website and database☆15Updated 3 months ago
- Tutorial for Wannier2022☆16Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated 2 weeks ago
- A library of density matrix embedding theory (DMET).☆37Updated 11 months ago
- D3Q + thermal2☆26Updated 2 months ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated 3 weeks ago
- Set of tools for trexio files☆19Updated 2 months ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆13Updated 2 months ago