jichunlian / disorder
A code for generating irreducible site-occupancy configurations
☆48Updated last year
Alternatives and similar repositories for disorder:
Users that are interested in disorder are comparing it to the libraries listed below
- Visualize vibrational modes from VASP calculations☆41Updated 3 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 4 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆57Updated this week
- ☆25Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated last year
- ☆50Updated 2 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- ☆41Updated 6 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 5 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- quick analysis of vasp calculation☆35Updated 10 months ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆17Updated 2 years ago
- ☆47Updated 2 weeks ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 2 months ago
- A lite tool for monitoring convergence in VASP relaxation☆16Updated 10 months ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- ☆19Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆28Updated 5 months ago
- LAMMPS interface for phonon calculations using phonopy