gcmt-group / sodLinks
Site-Occupation Disorder
☆41Updated 3 months ago
Alternatives and similar repositories for sod
Users that are interested in sod are comparing it to the libraries listed below
Sorting:
- A Python suite for manipulating VASP input and output☆46Updated last year
- Tools for Phono(3)py power users.☆33Updated last year
- ☆36Updated 5 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 4 months ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆22Updated 2 years ago
- ☆26Updated 6 months ago
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- LAMMPS interface for phonon calculations using phonopy☆87Updated 10 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- ☆55Updated 2 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆85Updated last week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- ☆42Updated 7 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- Interfacial Phonon code☆27Updated 2 years ago
- ☆44Updated 9 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- quick analysis of vasp calculation☆36Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- TDEP Tutorials☆30Updated last month
- A command line tool written in Python/C++ for finding optimized SQS structures☆49Updated 2 weeks ago
- ☆52Updated 3 months ago