QuantumMaterialsModelling / vasp-phonopy-sscha
☆11Updated last year
Alternatives and similar repositories for vasp-phonopy-sscha:
Users that are interested in vasp-phonopy-sscha are comparing it to the libraries listed below
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 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
- Tools for Phono(3)py power users.☆32Updated last year
- ☆25Updated 2 months ago
- 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
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- TDEP Tutorials☆25Updated 3 months ago
- Script to generate distorted perovskite structures☆10Updated last year
- ☆18Updated 3 months ago
- 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.☆32Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last month
- Interfacial Phonon code☆26Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- Python program for analyzing the output files of phonopy.☆13Updated 3 years 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
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 4 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆16Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated last month
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆18Updated 2 years ago
- ☆18Updated 5 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆14Updated last month
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆24Updated 10 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆15Updated 2 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆14Updated last year
- Band structure unfolding made easy!☆46Updated last week