Alternatives and similar repositories for bapt

Users that are interested in bapt are comparing it to the libraries listed below

• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆21Updated 2 years ago
• flokno / tools.tdep
  ☆19Updated 6 months ago
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆28Updated last week
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• Chengcheng-Xiao / VASP_LOL
  VASP - Localized Orbital Locator + Electron Localizability Indicator
  ☆17Updated 2 years ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆20Updated 8 months ago
• DefAP / defap
  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 month
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆34Updated 2 years ago
• JaGeo / AtomicContributions
  Vizualisation of Atomic Contributions to Phonon Modes
  ☆13Updated 7 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…
  ☆21Updated 2 years ago
• Chengcheng-Xiao / WOBSTER
  Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction
  ☆15Updated last year
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• ttadano / DistortPerovskite
  Script to generate distorted perovskite structures
  ☆12Updated last year
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆24Updated 4 years ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆26Updated last year
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆30Updated 3 weeks ago
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆17Updated last year
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆17Updated 5 years 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…
  ☆13Updated 5 years ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆29Updated last year
• 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…
  ☆16Updated 7 years ago
• Chengcheng-Xiao / Periodic_NBO
  Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
  ☆20Updated 3 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated this week
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆13Updated 2 months ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 3 years ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆27Updated 2 years ago
• i-pi / tutorials-schools
  ☆17Updated 4 years ago
• aradi / SCPC-Method
  ☆26Updated 5 months ago
• MDIL-SNU / AMP2
  ☆20Updated last year