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
- Geometric analysis of crystal structures☆15Updated 3 years ago
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- Visualizations☆14Updated 3 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
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆8Updated 4 months ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated last month
- 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
- Quick tools for materials chemistry☆17Updated last year
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 6 months ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆13Updated 2 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 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…☆14Updated this week
- DFT simulation of He atom☆13Updated 3 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Updated 2 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated last week
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- VASP Integrated Supporting Environment☆23Updated last month
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆39Updated 11 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated this week
- Generate atomic structures for common defects in materials☆19Updated last year
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 9 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- AiiDA plugin for the Wannier90 code☆11Updated last year
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- ☆19Updated 7 months ago