comscope / ComDMFT
ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or qsGW calculations with an impurity problem describing strong on-atom correlations. The impurity problem is set up using Wannier90 and cRPA, and is solved with DMFT and the ComCTQMC impurity solver.
☆34Updated last year
Alternatives and similar repositories for ComDMFT:
Users that are interested in ComDMFT are comparing it to the libraries listed below
- ☆23Updated last year
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆45Updated last year
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆35Updated last year
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- Haule's Repository for combination of Density Functional Theory and Embedded Dynamical Mean Field Theory implementation (Python3 version)☆22Updated last month
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆33Updated last week
- Interacting quantum impurity solver toolkit☆38Updated last week
- A Python package for wave function-based quantum embedding☆34Updated this week
- A library of density matrix embedding theory (DMET).☆35Updated 2 months ago
- ☆48Updated 2 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 10 months ago
- Python modules for electron–phonon models☆32Updated last week
- Reference implementation of GW☆13Updated 5 years ago
- A tool for creating and manipulating tight-binding models.☆37Updated 3 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last month
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆35Updated last week
- Software package to handle the many-fermionic operator☆15Updated 11 years ago
- A fast and generic hybridization-expansion solver☆21Updated last week
- Exact diagonalization, Lehmann's representation, Two-particle Green's functions☆47Updated 3 months ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆51Updated last year
- Library for quantum interacting systems using DMFT☆13Updated 6 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆98Updated last week
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 2 months ago
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆38Updated 2 years ago
- KITE Quantum Transport Software☆28Updated last year
- Quantum Monte Carlo package, TurboRVB☆30Updated 3 weeks ago
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- Restore the symmetry of Wannier Hamiltonian generated by Wannier90☆27Updated 3 years ago