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 last year
- Vizualisation of Atomic Contributions to Phonon Modes☆12Updated 6 months ago
- ☆19Updated 5 months ago
- TDEP Tutorials☆29Updated this week
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 4 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆21Updated 7 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…☆21Updated 2 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last month
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Calculate 3rd order elastic constant.☆13Updated 2 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last month
- ☆11Updated 2 years ago
- ☆20Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- Tools for Phono(3)py power users.☆33Updated last year
- 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
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆20Updated 2 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆13Updated 3 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- Band alignment plotting tool☆24Updated 2 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated this week
- extract third order force constants from TDEP output☆9Updated 4 years ago
- Restructure single parabolic band(SPB) model used for thermoelectricity☆9Updated 3 years ago