hackingmaterials / amsetLinks
Electronic transport properties from first-principles calculations
☆157Updated 2 weeks ago
Alternatives and similar repositories for amset
Users that are interested in amset are comparing it to the libraries listed below
Sorting:
- Phonon anharmonicity analysis from molecular dynamics☆133Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- A Python library for electronic structure pre/post-processing☆190Updated last week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆174Updated 2 weeks ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆182Updated this week
- Heavyweight plotting tools for ab initio calculations☆234Updated 6 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆93Updated last week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆221Updated this week
- LAMMPS interface for phonon calculations using phonopy☆89Updated 2 weeks ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆144Updated 7 months ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- ☆60Updated 3 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆177Updated 9 years ago
- Defect structure-searching employing chemically-guided bond distortions☆108Updated this week
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- Python package to analyse electron density & electrostatic potential grids☆88Updated last year
- band plot using python matplotlib☆178Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated 2 weeks ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- Solvation model for the plane wave DFT code VASP.☆164Updated last month
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆129Updated this week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- New ASE compliant Python interface to VASP☆134Updated 3 years ago
- A plugin to AiiDA for running simulations with VASP☆57Updated this week
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated last month
- Python interface for VASP☆87Updated this week
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated last week
- A simulation package of phonon-phonon interaction related properties☆149Updated last week
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆105Updated 4 years ago