henriquemiranda / phononwebsite
Visualise lattice vibrations
☆92Updated last month
Alternatives and similar repositories for phononwebsite:
Users that are interested in phononwebsite are comparing it to the libraries listed below
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆78Updated 5 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆114Updated 2 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 3 years ago
- Phonon anharmonicity analysis from molecular dynamics☆122Updated 4 months ago
- ☆65Updated last week
- An updated version of the VASP2WANNIER90v2 interface☆91Updated last year
- Band unfolding for phonons☆54Updated 5 months ago
- ☆49Updated last year
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆132Updated 2 months ago
- Blender extensions for illustrations of phonons☆62Updated 6 years ago
- Python interface for VASP☆81Updated last week
- A library of ultrasoft and PAW pseudopotentials☆75Updated 2 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆42Updated last year
- ab-initio nonadiabatic molecular dynamics program☆102Updated 10 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 6 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- Implementation for computing nonradiative recombination rates in semiconductors☆45Updated 5 months ago
- BerkeleyGW python☆31Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 3 months ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆98Updated last week
- Occupation matrix control modification VASP☆45Updated 5 years ago
- a python package for computing magnetic interaction parameters☆75Updated 3 weeks ago
- band plot using python matplotlib☆159Updated 4 months ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆88Updated this week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆56Updated last month
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated 11 months ago
- KPROJ: A Band Unfolding Program☆38Updated last month