henriquemiranda / phononwebsiteLinks
Visualise lattice vibrations
☆93Updated this week
Alternatives and similar repositories for phononwebsite
Users that are interested in phononwebsite are comparing it to the libraries listed below
Sorting:
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 weeks ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 6 months ago
- ☆66Updated 3 weeks ago
- Blender extensions for illustrations of phonons☆65Updated 6 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 7 months ago
- Electronic transport properties from first-principles calculations☆147Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆127Updated 6 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆81Updated 5 years ago
- ☆53Updated last year
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆115Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆82Updated this week
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- a python package for computing magnetic interaction parameters☆79Updated this week
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Band unfolding for phonons☆54Updated 7 months ago
- A library of ultrasoft and PAW pseudopotentials☆80Updated 2 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆100Updated last week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆136Updated 2 months ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆135Updated this week
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- An updated version of the VASP2WANNIER90v2 interface☆92Updated last year
- Python interface for VASP☆83Updated this week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 weeks ago
- Band structure unfolding made easy!☆53Updated this week
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆90Updated last month
- Generating geometries for electronic structure calculations from CIF files.☆43Updated 6 months ago
- A simulation package of phonon-phonon interaction related properties☆137Updated this week
- BerkeleyGW python☆31Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 5 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 2 years ago