henriquemiranda / phononwebsiteLinks
Visualise lattice vibrations
☆103Updated 4 months ago
Alternatives and similar repositories for phononwebsite
Users that are interested in phononwebsite are comparing it to the libraries listed below
Sorting:
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆103Updated 4 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆89Updated 5 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 5 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated 2 weeks ago
- Band unfolding for phonons☆57Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated 2 weeks ago
- ☆71Updated last week
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆120Updated 3 years ago
- a python package for computing magnetic interaction parameters☆86Updated this week
- The Temperature Dependent Effective Potentials (TDEP) code☆90Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆133Updated 3 weeks ago
- Band structure unfolding made easy!☆57Updated 2 weeks ago
- ☆58Updated 2 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months ago
- A Python library for electronic structure pre/post-processing☆190Updated this week
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆173Updated 2 months ago
- Electronic transport properties from first-principles calculations☆156Updated 2 weeks ago
- band plot using python matplotlib☆176Updated last year
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆144Updated 7 months ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- A plugin to AiiDA for running simulations with VASP☆56Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated 2 weeks ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year