dafolkner / Silicon_projectLinks
☆13Updated last year
Alternatives and similar repositories for Silicon_project
Users that are interested in Silicon_project are comparing it to the libraries listed below
Sorting:
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- ☆13Updated 2 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Updated 3 years ago
- This GitHub repository contains additional information supporting published manuscripts☆19Updated last year
- Tools for Phono(3)py power users.☆35Updated 2 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated last year
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 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…☆27Updated 2 years ago
- ☆22Updated 2 years ago
- ☆21Updated last year
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated last year
- TDEP Tutorials☆34Updated 8 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Updated 7 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆21Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 8 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Phonons from ML force fields☆23Updated 7 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Updated 4 months ago
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆24Updated last month
- Allen-Feldman thermal conductivity compatible to GULP implementation☆21Updated 10 months ago
- ☆19Updated 6 years ago
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Updated 3 months ago
- Utility scripts and programs for VASP calculations☆20Updated last week
- Random symmetric initialization of crystals☆25Updated 8 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆30Updated 3 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated last month