Alternatives and similar repositories for VASP-Structural_Descriptors:

Users that are interested in VASP-Structural_Descriptors are comparing it to the libraries listed below

• JaGeo / AtomicContributions
  Vizualisation of Atomic Contributions to Phonon Modes
  ☆10Updated 2 months ago
• gabkrenzer / vaspMD
  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
• 999938825 / easyvasp
  高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）
  ☆12Updated 3 years ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆19Updated 5 years ago
• harrisonlabollita / phononTools
  Python program for analyzing the output files of phonopy.
  ☆13Updated 3 years ago
• SSlakeLabTiangong / 2019_workshop
  ☆14Updated 4 years ago
• ttadano / DistortPerovskite
  Script to generate distorted perovskite structures
  ☆10Updated 11 months ago
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆31Updated 2 years ago
• lxf-gzu / vasp_small_script
  ☆18Updated 5 years ago
• MahdiDavari / FPTE
  The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…
  ☆15Updated last week
• aradi / SCPC-Method
  ☆22Updated last month
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 3 years ago
• B-C-WANG / soapml
  机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode
  ☆18Updated 6 years ago
• r2stanton / pyrovskite
  A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
  ☆23Updated 4 months ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆21Updated last year
• SSlakeLabTiangong / 2020_webinar
  ☆11Updated 4 years ago
• rjacobs914 / VASP-Tools
  A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…
  ☆15Updated 6 years ago
• icomse / DFT_summer_2022
  Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
  ☆13Updated last year
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 4 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆31Updated last year
• hitliaomq / ELASTIC3rd
  Calculate 3rd order elastic constant.
  ☆13Updated 3 years ago
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆12Updated 2 weeks ago
• Chengcheng-Xiao / VASP_LOL
  VASP - Localized Orbital Locator + Electron Localizability Indicator
  ☆16Updated 2 years ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆22Updated 4 years ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆23Updated 9 months ago
• luzihen / AIMD_Toolkit
  This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
  ☆11Updated 3 years ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆18Updated 3 months ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆23Updated 6 months ago
• ShuangLeung / STM_2DScan
  STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…
  ☆12Updated 4 years ago
• QuantumMaterialsModelling / vasp-phonopy-sscha
  ☆10Updated last year