aradi / SCPC-Method
☆25Updated 2 months ago
Alternatives and similar repositories for SCPC-Method:
Users that are interested in SCPC-Method are comparing it to the libraries listed below
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Tools for Phono(3)py power users.☆32Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 10 months ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆32Updated 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…☆21Updated last year
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆17Updated 2 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆27Updated 4 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- python workflow for GW-BSE calculation☆25Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 10 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 11 months ago
- ☆11Updated last year
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- DFT post processing tools☆23Updated 7 months ago
- Visualize vibrational modes from VASP calculations☆39Updated last month
- ☆16Updated 3 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated 2 weeks ago
- ☆20Updated last year
- TDEP Tutorials☆24Updated 2 months ago
- ☆18Updated 5 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆16Updated 2 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- Band structure unfolding made easy!☆45Updated this week
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆24Updated 6 months ago