nakib / elphboltLinks
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
☆53Updated this week
Alternatives and similar repositories for elphbolt
Users that are interested in elphbolt are comparing it to the libraries listed below
Sorting:
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆27Updated 4 years ago
- Fermi surface generation, analysis and visualisation.☆95Updated 3 weeks ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆106Updated this week
- A tool for creating and manipulating tight-binding models.☆40Updated 5 months ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆92Updated last week
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆58Updated 3 years ago
- JDFTx: software for joint density functional theory☆92Updated 2 months ago
- a python package for computing magnetic interaction parameters☆82Updated last week
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated 2 years ago
- Multiple Scattering Theory code for first principles calculations☆68Updated 2 weeks ago
- Effective Mass Calculator for Semiconductors☆110Updated 4 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 10 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- A Python library to calculate elastic properties of materials.☆59Updated last month
- Python modules for electron–phonon models☆35Updated last week
- Massively parallel vibrational mode calculator.☆23Updated last year
- Band unfolding for phonons☆56Updated 10 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- A library of ultrasoft and PAW pseudopotentials☆83Updated 2 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated 2 weeks ago
- ThermoElectric is a computational framework that computes electron transport coefficients.☆23Updated 11 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆54Updated last year
- ☆23Updated 7 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated 2 months ago
- D3Q + thermal2☆26Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 3 months ago
- Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT☆36Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆106Updated last month