freude / negf
The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function formalism.
☆12Updated 5 years ago
Alternatives and similar repositories for negf:
Users that are interested in negf are comparing it to the libraries listed below
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 6 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated 11 months ago
- Construct phonon tight-binding model and calculate its topological properties☆24Updated 5 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 4 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated last month
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆48Updated last year
- Julia codes to play with Phonons☆23Updated 6 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 7 months ago
- Topological Insulators - Notebooks for an introductory course☆25Updated 9 years ago
- Python modules for electron–phonon models☆29Updated 3 weeks ago
- Solver for the Semiconductor Bloch Equations describing optical response of a semiconductor nano-structure on an optical excitation.☆11Updated last year
- Tutorials for the sisl-TBtrans-TranSiesta suite☆37Updated 2 months ago
- Tutorial for Wannier2022☆14Updated last month
- Non-equilibrium green's function method☆15Updated 9 years ago
- Draft for my book about implementing density functional theory☆18Updated 6 months ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆11Updated 5 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated 10 months ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆28Updated 3 weeks ago
- DFT simulation of He atom☆12Updated 3 years ago
- Add on-site SOC to Wannier Hamiltonian.☆14Updated 3 years ago
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆12Updated 5 years ago
- A software package for calculating the electronic structure and topological properties of the tight-binding (TB) model.☆20Updated 10 months ago
- A tool for creating and manipulating tight-binding models.☆36Updated 2 weeks ago
- A poor man's density functional theory program☆13Updated 2 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 6 years ago
- Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).☆8Updated 5 years ago