jichunlian / disorderLinks
A code for generating irreducible site-occupancy configurations
☆49Updated last year
Alternatives and similar repositories for disorder
Users that are interested in disorder are comparing it to the libraries listed below
Sorting:
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆47Updated 8 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Visualize vibrational modes from VASP calculations☆43Updated 8 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- ☆19Updated 6 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated 2 weeks ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 4 months ago
- ☆36Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- ☆57Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- ☆43Updated 7 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated 3 weeks ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated 2 years ago
- Site-Occupation Disorder☆44Updated 5 months ago
- ☆62Updated 5 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆25Updated 2 years ago
- quick analysis of vasp calculation☆37Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last year
- Occupation matrix control modification VASP☆50Updated 6 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆46Updated last year
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 10 months ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆25Updated last year
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 4 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago