hityingph / supporting-infoLinks
This GitHub repository contains additional information supporting published manuscripts
☆17Updated 9 months ago
Alternatives and similar repositories for supporting-info
Users that are interested in supporting-info are comparing it to the libraries listed below
Sorting:
- Molecular dynamics package designed for the SIESTA DFT code.☆15Updated last week
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆35Updated 2 weeks ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆30Updated 6 months ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- GPUMD and LAMMPS helper functions for thermal computations☆25Updated 2 years ago
- ☆19Updated 6 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆18Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 7 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆21Updated 2 years ago
- ☆44Updated 8 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 2 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 months ago
- ☆41Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- some toolkits for VASP☆30Updated 4 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated 3 months ago
- Interfacial Phonon code☆27Updated 2 years ago
- Some scripts for gpumd and nep☆20Updated 8 months ago