rohkeaID / elk-w90-improved
An interface for ELK-Wannier90 calculations
☆16Updated 3 years ago
Related projects: ⓘ
- Reference implementation of GW☆13Updated 5 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆10Updated 4 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆24Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- Add on-site SOC to Wannier Hamiltonian.☆14Updated 3 years ago
- Correlation consistent Gaussian basis sets for solids☆22Updated 4 months ago
- Density matrix embedding theory for periodic systems☆15Updated 2 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- Python modules for electron–phonon models☆29Updated last week
- Real-time TDDFT for Quantum-Espresso☆23Updated last year
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆32Updated last week
- A library of density matrix embedding theory (DMET).☆28Updated last month
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆32Updated last year
- A python package of utils for DFT, Tight binding, etc.☆14Updated 3 months ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 6 years ago
- Tutorial for Wannier2022☆11Updated 11 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆12Updated 5 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆21Updated 7 months ago
- SPMS table of pseudopotentials☆19Updated last year
- A poor man's density functional theory program☆13Updated last week
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 3 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆17Updated last year
- Cornell-Holland Ab-initio Materials Package☆15Updated last month
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆10Updated 3 months ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆12Updated last year
- ☆19Updated last year
- A Fortran90 program for unfolding phonon dispersions☆10Updated 4 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆18Updated 2 months ago
- Mathematica modules for electronic structure calculations☆24Updated last year
- ☆17Updated last week