abelcarreras / DynaPhoPyLinks
Phonon anharmonicity analysis from molecular dynamics
☆134Updated 2 months ago
Alternatives and similar repositories for DynaPhoPy
Users that are interested in DynaPhoPy are comparing it to the libraries listed below
Sorting:
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 6 months ago
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆175Updated last month
- A grain boundary generation code☆79Updated 2 years ago
- Electronic transport properties from first-principles calculations☆157Updated 2 weeks ago
- Anharmonic Lattice Dynamics☆163Updated last week
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆179Updated 9 years ago
- ☆60Updated 3 years ago
- Fix lattice component(s) during relaxation in VASP☆127Updated last week
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- Solvation model for the plane wave DFT code VASP.☆167Updated 2 months ago
- Heavyweight plotting tools for ab initio calculations☆234Updated 6 months ago
- band plot using python matplotlib☆177Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated 2 weeks ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated last week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆67Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated last month
- Defect structure-searching employing chemically-guided bond distortions☆110Updated last week
- Examples demonstrating how to reproduce the results in the paper.☆65Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆47Updated last week
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆93Updated last week
- Occupation matrix control modification VASP☆52Updated 6 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Export Eigenvectors from Phonopy format to VESTA☆50Updated 11 months ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆103Updated 2 weeks ago