aiida-vasp / parsevaspLinks
A general parser for VASP
☆15Updated 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☆18Updated last week
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- Geometric analysis of crystal structures☆15Updated 3 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆13Updated last week
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- DFT simulation of He atom☆13Updated 4 years ago
- Visualizations☆14Updated 3 years ago
- Draft for my book about implementing density functional theory☆20Updated 6 months ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Updated last year
- ☆12Updated last year
- NIST Interatomic Potential Repository property calculation tools☆12Updated last month
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated 2 weeks ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- VASP Integrated Supporting Environment☆24Updated 4 months ago
- ☆10Updated last month
- SPMS table of pseudopotentials☆19Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆14Updated 3 years ago
- Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge☆13Updated 6 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 …☆21Updated 5 months ago
- Phonons for AiiDA☆20Updated last month
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated 2 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆18Updated 3 months ago
- Python package for detecting spin space group on top of spglib☆18Updated 3 weeks ago
- On-the-fly generator of space-group irreducible representations☆56Updated this week
- Scripts to extract various properties from VASP OUTCAR file☆12Updated 2 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- AiiDA plugin for the Wannier90 code☆11Updated last year