aromanro / KKRLinks
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
☆19Updated this week
Alternatives and similar repositories for KKR
Users that are interested in KKR are comparing it to the libraries listed below
Sorting:
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- This is a GPU optimized version of ShengBTE.☆18Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 3 years ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- DFT simulation of He atom☆13Updated 4 years ago
- ☆12Updated 5 years ago
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- Effective mass calculation with DFT☆17Updated last year
- Software to study polarization and topological properties of crystalline solids☆31Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆26Updated 2 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 8 months ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated last month
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated 2 weeks ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Updated 2 years ago
- TDEP Tutorials☆34Updated 7 months ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated last month
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆14Updated this week
- Visualizations☆14Updated 3 years ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆19Updated 2 months ago
- WanTiBEXOS code repository☆15Updated 3 weeks ago
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆13Updated 6 years ago
- Magnetic critical temperature Calculator☆17Updated last year
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Updated 6 years ago
- Tools required to calculate the SLME of materials☆13Updated last year
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Updated 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