Alternatives and similar repositories for oxygen_vacancies_db

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

• kumagai-group / vise
  VASP Integrated Supporting Environment
  ☆23Updated last week
• 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
• JaGeo / AtomicContributions
  Vizualisation of Atomic Contributions to Phonon Modes
  ☆13Updated 7 months ago
• QuantumMaterialsModelling / vasp-phonopy-sscha
  ☆11Updated 2 years ago
• Chengcheng-Xiao / VASP_LOL
  VASP - Localized Orbital Locator + Electron Localizability Indicator
  ☆17Updated 2 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆20Updated 8 months ago
• QuantumMaterialsModelling / bands4vasp
  bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…
  ☆13Updated 3 years ago
• harrisonlabollita / phononTools
  Python program for analyzing the output files of phonopy.
  ☆13Updated 3 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…
  ☆17Updated 5 months ago
• kumagai-group / pydefect_2d
  ☆14Updated last month
• aradi / SCPC-Method
  ☆26Updated 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 2 weeks ago
• jcwang587 / xdatbus
  A Python package for enhancing VASP AIMD simulations and analysis
  ☆12Updated 3 weeks ago
• 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
• 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…
  ☆22Updated 2 years ago
• flokno / tools.tdep
  ☆19Updated 6 months ago
• phonopy / spgrep-modulation
  Collective atomic modulation analysis with irreducible space-group representation
  ☆17Updated this week
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆17Updated last year
• MDIL-SNU / AMP2
  ☆20Updated last year
• hspark1212 / crystal-gnn
  A Benchmarking Framework for Crystal GNNs
  ☆18Updated 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
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 3 years ago
• ttadano / DistortPerovskite
  Script to generate distorted perovskite structures
  ☆12Updated last year
• K4ys4r / BoltzTraP_Tools
  BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA
  ☆19Updated 4 years ago
• Chengcheng-Xiao / WOBSTER
  Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction
  ☆15Updated last year
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆30Updated 3 weeks ago
• frankNiessen / ASE_VASP_automation
  Automation of VASP DFT workflows with ASE - application scripts
  ☆12Updated 2 years ago
• warda-rahim / phononplotter
  A tool for plotting phonon dispersion curves and phonon density of states.
  ☆12Updated 4 years ago
• NU-CEM / ThermoPot
  Python package for calculating thermodynamic potentials from first-principles calculations
  ☆14Updated last year