phoebe-team / phoebe
A high-performance framework for solving phonon and electron Boltzmann equations
☆88Updated 2 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for phoebe
- A library of ultrasoft and PAW pseudopotentials☆76Updated 2 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆43Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆71Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆95Updated this week
- Massively parallel vibrational mode calculator.☆22Updated 3 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆139Updated 2 weeks ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆86Updated 2 weeks ago
- Modeling and Crystallographic Utilities☆45Updated last year
- ☆62Updated last month
- The Temperature Dependent Effective Potentials (TDEP) code☆65Updated this week
- a python package for computing magnetic interaction parameters☆71Updated this week
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated 2 weeks ago
- Band unfolding for phonons☆50Updated 3 weeks ago
- Python interface for VASP☆78Updated last week
- Fermi surface generation, analysis and visualisation.☆88Updated 2 weeks ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 2 months ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆114Updated last month
- Blender extensions for illustrations of phonons☆60Updated 5 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆69Updated 4 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆49Updated 2 weeks ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- ☆45Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆114Updated 2 weeks ago
- Visualise lattice vibrations☆87Updated last year
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- JDFTx: software for joint density functional theory☆83Updated last month
- A Wannier90 python interface for VASP and PySCF☆34Updated 9 months ago
- This is the official GPL repository of the yambo code☆99Updated this week
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆106Updated 2 years ago