phonopy / spgrep-modulation
Collective atomic modulation analysis with irreducible space-group representation
☆16Updated 3 weeks ago
Alternatives and similar repositories for spgrep-modulation:
Users that are interested in spgrep-modulation are comparing it to the libraries listed below
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- A general parser for VASP☆13Updated this week
- 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 year
- Geometric analysis of crystal structures☆15Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- ☆11Updated 2 years ago
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 3 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆11Updated 3 months ago
- Quick tools for materials chemistry☆17Updated 10 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆11Updated last week
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 5 months ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆16Updated 2 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- ☆19Updated 4 months ago
- Python package for detecting spin space group on top of spglib☆14Updated last week
- Script to generate distorted perovskite structures☆11Updated last year
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- ☆19Updated 10 months ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 4 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Updated last year
- Primer of crystal symmetry and space group☆14Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Updated last month
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Random symmetric initialization of crystals☆21Updated 7 years ago
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year