phoebe-team / phoebeLinks
A high-performance framework for solving phonon and electron Boltzmann equations
☆106Updated 2 weeks ago
Alternatives and similar repositories for phoebe
Users that are interested in phoebe are comparing it to the libraries listed below
Sorting:
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated last week
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated last week
- A Python library for electronic structure pre/post-processing☆183Updated last week
- A library of ultrasoft and PAW pseudopotentials☆82Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆86Updated this week
- Electronic transport properties from first-principles calculations☆153Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆138Updated 4 months ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆210Updated last month
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆91Updated this week
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- Massively parallel vibrational mode calculator.☆23Updated 11 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆102Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆105Updated 2 weeks ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Fermi surface generation, analysis and visualisation.☆95Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 9 months ago
- JDFTx: software for joint density functional theory☆92Updated 2 months ago
- a python package for computing magnetic interaction parameters☆80Updated this week
- Effective Mass Calculator for Semiconductors☆109Updated 4 years ago
- Visualise lattice vibrations☆98Updated 2 months ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆54Updated 2 weeks ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆65Updated last week
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆140Updated 2 weeks ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- Band unfolding for phonons☆55Updated 9 months ago
- ☆67Updated 3 weeks ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year