nakib / elphbolt
A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
☆48Updated this week
Alternatives and similar repositories for elphbolt:
Users that are interested in elphbolt are comparing it to the libraries listed below
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- A tool for creating and manipulating tight-binding models.☆39Updated 2 months ago
- Massively parallel vibrational mode calculator.☆23Updated 8 months ago
- Fermi surface generation, analysis and visualisation.☆95Updated last month
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 6 months ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆100Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆79Updated last year
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆57Updated 3 years ago
- Band structure unfolding made easy!☆53Updated last week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 4 months ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated this week
- A computational framework to automate point defect calculations☆36Updated 6 years ago
- Modeling and Crystallographic Utilities☆50Updated last year
- ☆29Updated 10 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆79Updated last week
- a python package for computing magnetic interaction parameters☆77Updated this week
- Band unfolding for phonons☆54Updated 6 months ago
- A module for ASE for elastic constants calculation.☆41Updated 3 months ago
- Tutorials for Quantum Espresso☆19Updated 2 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆41Updated 5 months ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆89Updated this week
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆81Updated 5 years ago
- DensityTool post-processing program for VASP☆30Updated last year
- JDFTx: software for joint density functional theory☆88Updated 2 months ago
- D3Q + thermal2☆25Updated 3 weeks ago
- BerkeleyGW python☆31Updated 3 years ago