hitliaomq / ElasticPOSTLinks
POST code for second order elastic constant
☆42Updated 5 years ago
Alternatives and similar repositories for ElasticPOST
Users that are interested in ElasticPOST are comparing it to the libraries listed below
Sorting:
- A grain boundary generation code☆74Updated 2 years ago
- Some scripting tools used for lammps input or output☆60Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 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.☆30Updated 2 months ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆53Updated last year
- ☆57Updated 9 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- VASPKIT_manual markdown source!☆80Updated 6 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- some toolkits for VASP☆30Updated 4 years ago
- Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT☆36Updated last year
- ☆30Updated 5 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆34Updated 5 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆27Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆23Updated 3 years ago
- generator of simple atomistic models☆28Updated 7 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated 2 years ago
- Ferroelectric/Ferroelastic domain wall builder☆21Updated 11 months ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆85Updated 5 months ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 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 6 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago