Chengcheng-Xiao / VASP_LOLLinks
VASP - Localized Orbital Locator + Electron Localizability Indicator
☆17Updated 2 years ago
Alternatives and similar repositories for VASP_LOL
Users that are interested in VASP_LOL are comparing it to the libraries listed below
Sorting:
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 8 months ago
- ☆20Updated 9 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 10 months 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 11 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 8 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- TDEP Tutorials☆32Updated 4 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆25Updated 2 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆42Updated 11 months ago
- ☆22Updated 2 years ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- ☆12Updated 2 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- Calculate 3rd order elastic constant.☆13Updated 6 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 3 months ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Updated 3 weeks 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
- Interfacial Phonon code☆28Updated 3 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 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 2 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 3 weeks ago
- ☆10Updated last week
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Python program for analyzing the output files of phonopy.☆14Updated 4 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