aiida-vasp / parsevaspLinks
A general parser for VASP
☆13Updated last week
Alternatives and similar repositories for parsevasp
Users that are interested in parsevasp are comparing it to the libraries listed below
Sorting:
- Collective atomic modulation analysis with irreducible space-group representation☆17Updated 2 weeks ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 5 years ago
- Geometric analysis of crystal structures☆15Updated 3 years ago
- Visualizations☆13Updated 3 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
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 5 months ago
- Generate symmetrized force constants☆21Updated 2 weeks ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- 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
- Quick tools for materials chemistry☆17Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- ☆20Updated last year
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 8 months ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆8Updated 3 months ago
- Calculate 3rd order elastic constant.☆13Updated 3 months ago
- ☆19Updated 6 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆13Updated this week
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- Phonons from ML force fields☆21Updated 2 months 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
- extract third order force constants from TDEP output☆9Updated 5 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year
- DFT simulation of He atom☆13Updated 3 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆11Updated 2 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- Phonon for AiiDA☆20Updated 3 months ago