michelegalasso / automag
Automatic search for the most stable magnetic state of a given structure
☆21Updated last year
Alternatives and similar repositories for automag:
Users that are interested in automag are comparing it to the libraries listed below
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆18Updated 5 years ago
- Tools for Phono(3)py power users.☆31Updated last year
- Interfacial Phonon code☆25Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆18Updated 5 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆26Updated 2 weeks ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 8 months ago
- quick analysis of vasp calculation☆35Updated 7 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 2 weeks ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 8 months ago
- some toolkits for VASP☆27Updated 3 years ago
- DFT post processing tools☆23Updated 5 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆52Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated 3 weeks ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆28Updated last month
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆20Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Script to generate distorted perovskite structures☆10Updated 11 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years ago
- ☆36Updated 5 years ago
- TDEP Tutorials☆24Updated last month
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated 4 months ago