Shibu778 / defectplLinks
A unified package for post-processing optical properties of point defects from first principles calculation.
☆11Updated 2 months ago
Alternatives and similar repositories for defectpl
Users that are interested in defectpl are comparing it to the libraries listed below
Sorting:
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Updated 3 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
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year
- ☆13Updated 3 years ago
- Tools for Phono(3)py power users.☆35Updated 2 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆18Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Practical guide on how to use VASP☆25Updated 5 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Interfacial Phonon code☆28Updated 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 improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆27Updated 2 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- Utility scripts and programs for VASP calculations☆19Updated last week
- Tools required to calculate the SLME of materials☆13Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 6 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 9 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- 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
- Python package for enhancing VASP AIMD simulations and analysis☆13Updated 7 months ago
- Python program for analyzing the output files of phonopy.☆14Updated 4 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 3 weeks ago
- TDEP Tutorials☆34Updated 8 months ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 years ago