syang-creater / extract-thirdorder-forceconstantLinks
extract third order force constants from TDEP output
☆10Updated 5 years ago
Alternatives and similar repositories for extract-thirdorder-forceconstant
Users that are interested in extract-thirdorder-forceconstant are comparing it to the libraries listed below
Sorting:
- Python program for analyzing the output files of phonopy.☆14Updated 4 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆12Updated 2 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Updated 3 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated last year
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 9 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 10 months ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆24Updated last month
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Tools required to calculate the SLME of materials☆13Updated last year
- Interfacial heat conductance☆12Updated last year
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Updated 7 months ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Updated 6 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 11 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆18Updated 4 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 years ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆14Updated 5 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 3 months ago
- DFT post processing tools☆26Updated last year
- Projected Electronic Bands in Quantum Espresso☆14Updated 3 weeks ago
- Magnetic critical temperature Calculator☆17Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago