zhongliliu / elastoolLinks
A toolkit for automatic calculation and analysis of elastic constants
☆51Updated last year
Alternatives and similar repositories for elastool
Users that are interested in elastool are comparing it to the libraries listed below
Sorting:
- A grain boundary generation code☆68Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆24Updated this week
- POST code for second order elastic constant☆42Updated 5 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 6 years ago
- A module for ASE for elastic constants calculation.☆45Updated 4 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last month
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Some scripting tools used for lammps input or output☆58Updated last month
- Generate random alloys and compute various properties☆53Updated 6 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 8 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆26Updated 4 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 7 months ago
- ☆30Updated 4 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆33Updated 9 years ago
- ☆53Updated 2 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆55Updated 5 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- ☆49Updated 2 months ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆32Updated 4 years ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 5 months ago
- ☆11Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆128Updated 7 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆66Updated last year
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated this week