abelcarreras / phonolammpsLinks
LAMMPS interface for phonon calculations using phonopy
☆88Updated last year
Alternatives and similar repositories for phonolammps
Users that are interested in phonolammps are comparing it to the libraries listed below
Sorting:
- The Temperature Dependent Effective Potentials (TDEP) code☆90Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 5 months ago
- Phonon anharmonicity analysis from molecular dynamics☆133Updated 3 weeks ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- ☆57Updated 3 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated last week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆66Updated last year
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated last week
- ☆44Updated 7 years ago
- Defect structure-searching employing chemically-guided bond distortions☆108Updated this week
- Site-Occupation Disorder☆45Updated 6 months ago
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated 2 weeks ago
- Band structure unfolding made easy!☆57Updated last week
- Occupation matrix control modification VASP☆50Updated 6 years ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- A for finding optimized SQS structures tool written in C++☆51Updated 3 weeks ago
- A grain boundary generation code☆76Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆40Updated 8 months ago
- Anharmonic Lattice Dynamics☆162Updated last week
- Examples demonstrating how to reproduce the results in the paper.☆60Updated 11 months ago
- Materials Interface: methods in computational materials science☆26Updated 8 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last month
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated 2 weeks ago