eminamitani / thermal_conductivity_codeLinks
Allen-Feldman thermal conductivity compatible to GULP implementation
☆19Updated 4 months ago
Alternatives and similar repositories for thermal_conductivity_code
Users that are interested in thermal_conductivity_code are comparing it to the libraries listed below
Sorting:
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆37Updated last week
- Tools for Phono(3)py power users.☆34Updated last year
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆23Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆45Updated 7 months ago
- Visualize vibrational modes from VASP calculations☆42Updated 6 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last week
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 7 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- Tutorials on atomic simulations related to my research☆29Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- ☆42Updated 7 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 4 years ago
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- ☆16Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated 2 months ago
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 10 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 8 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- Site-Occupation Disorder☆42Updated 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
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆29Updated 10 months ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year