phonopy / spgrep-modulationLinks
Collective atomic modulation analysis with irreducible space-group representation
☆17Updated this week
Alternatives and similar repositories for spgrep-modulation
Users that are interested in spgrep-modulation are comparing it to the libraries listed below
Sorting:
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated last week
- A general parser for VASP☆13Updated last week
- Visualizations☆14Updated 3 years ago
- VASP Integrated Supporting Environment☆23Updated last month
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 6 months ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- ☆12Updated 2 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…☆13Updated 5 years ago
- A script to generate VASP input files including INCAR, KPOINTS, POTCAR and vasp_job.sh script.☆9Updated 5 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 6 months ago
- ☆19Updated 7 months ago
- Geometric analysis of crystal structures☆15Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆14Updated 3 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 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 3 months ago
- Random symmetric initialization of crystals☆22Updated 7 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated 3 weeks ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated last week
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Updated 9 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Updated 2 years ago
- Generate symmetrized force constants☆22Updated this week
- Quick tools for materials chemistry☆17Updated last year
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- Phonons from ML force fields☆23Updated last month
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated last month
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆39Updated 11 months ago
- 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