bzkarimi / VASP
Practical guide on how to use VASP
☆19Updated 4 years ago
Alternatives and similar repositories for VASP:
Users that are interested in VASP are comparing it to the libraries listed below
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- Band structure unfolding made easy!☆48Updated 2 weeks ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆24Updated 11 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…☆21Updated last year
- Tools for Phono(3)py power users.☆32Updated last year
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆27Updated 2 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- ☆41Updated 6 years ago
- ☆25Updated 3 months ago
- ☆36Updated 5 months ago
- Script to generate distorted perovskite structures☆10Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- TDEP Tutorials☆25Updated 3 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated last month
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆13Updated 4 years ago
- TB3Py: Two- and three-body tight-binding calculations for materials☆16Updated 6 months ago
- ☆20Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- ☆11Updated last year
- python workflow for GW-BSE calculation☆27Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated 11 months ago