Calculate 3rd order elastic constant.
☆13Mar 23, 2025Updated 11 months ago
Alternatives and similar repositories for ELASTIC3rd
Users that are interested in ELASTIC3rd are comparing it to the libraries listed below
Sorting:
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆14May 24, 2023Updated 2 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- POST code for second order elastic constant☆45Apr 14, 2020Updated 5 years ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Aug 14, 2022Updated 3 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆19Aug 2, 2023Updated 2 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Dec 31, 2025Updated 2 months ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆60Feb 27, 2026Updated last week
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆21May 17, 2024Updated last year
- An API btw Quantum ESPRESSO and Python☆20Jan 28, 2022Updated 4 years ago
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 21, 2025Updated 5 months ago
- A code to compute the radial distribution function☆21Feb 22, 2019Updated 7 years ago
- Calculating electron-phonon couplings with DFTB.☆10Feb 20, 2026Updated 2 weeks ago
- Projected Electronic Bands in Quantum Espresso☆15Oct 21, 2025Updated 4 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 3 years ago
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated 11 months ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Script library mainly about chemical physics.☆25Jun 15, 2025Updated 8 months ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Apr 18, 2023Updated 2 years ago
- Electron-phonon averaged approximation☆11Jun 30, 2025Updated 8 months ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 9 years ago
- Based on the classical lattice model (Heisenberg, XY, XYZ, etc.), code Ether has been developed to study the thermodynamics of ANY CRYST…☆17Feb 26, 2026Updated last week
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 7 months ago
- ☆13Jan 4, 2024Updated 2 years ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Feb 11, 2021Updated 5 years ago
- A set of tools and structures for modelling perovskite polytypes☆12Jun 18, 2023Updated 2 years ago
- Tutorial files for alamode☆13Aug 6, 2024Updated last year
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago