henriquemiranda / phononwebsite
Visualise lattice vibrations
☆87Updated last year
Related projects ⓘ
Alternatives and complementary repositories for phononwebsite
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆71Updated last year
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆69Updated 4 years ago
- ☆62Updated last month
- Blender extensions for illustrations of phonons☆60Updated 5 years ago
- 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
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated 2 weeks ago
- Band unfolding for phonons☆50Updated 3 weeks ago
- An updated version of the VASP2WANNIER90v2 interface☆88Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆114Updated 2 weeks ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 2 months ago
- a python package for computing magnetic interaction parameters☆71Updated this week
- ☆45Updated last year
- A Wannier90 python interface for VASP and PySCF☆34Updated 9 months ago
- A grain boundary generation code☆56Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆65Updated this week
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆86Updated 2 weeks ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆114Updated last month
- A library of ultrasoft and PAW pseudopotentials☆76Updated 2 years ago
- Python interface for VASP☆78Updated last week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- Massively parallel vibrational mode calculator.☆22Updated 3 months ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆95Updated this week
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆140Updated this week
- VASP Convergence Testing (for Energy & Dielectric Constants)☆48Updated 7 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆62Updated 7 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- A plugin to AiiDA for running simulations with VASP☆48Updated this week