rohkeaID / elk-w90-improved
An interface for ELK-Wannier90 calculations
☆16Updated 4 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
- Correlation consistent Gaussian basis sets for solids☆22Updated 8 months ago
- Add on-site SOC to Wannier Hamiltonian.☆14Updated 3 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- Reference implementation of GW☆13Updated 5 years ago
- SPMS table of pseudopotentials☆19Updated last year
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 6 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆26Updated last year
- Python modules for electron–phonon models☆29Updated last week
- Density matrix embedding theory for periodic systems☆17Updated 3 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 4 years ago
- ☆20Updated last year
- Pythonic electronic structure theory.☆13Updated this week
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 6 years ago
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆33Updated this week
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆34Updated last year
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- D3Q + thermal2☆25Updated last week
- A Fortran90 program for unfolding phonon dispersions☆10Updated 4 years ago
- A tool for creating and manipulating tight-binding models.☆36Updated this week
- A python project for quasi-harmonic properties calculations☆9Updated 6 years ago
- Tutorial for Wannier2022☆14Updated last month
- A python package of utils for DFT, Tight binding, etc.☆15Updated 7 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated 2 months ago
- Julia codes to play with Phonons☆23Updated 6 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆11Updated this week
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆12Updated 2 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated 3 weeks ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated last year