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AiiDA-VASP

  • Getting started
  • Tutorials
  • How-to guides
  • Concepts
  • Command Line Interface (CLI)
    • API Reference
    • Development
    • Changelog
  • GitHub
  • Getting started
  • Tutorials
  • How-to guides
  • Concepts
  • Command Line Interface (CLI)
  • API Reference
  • Development
  • Changelog
  • GitHub

Section Navigation

  • Installation
  • Configurations
  • Running a simple VASP calculation
  • Getting started

Getting started#

The aim of this section is to get you started with aiida-vasp. We will guide you through the installation process, configure for your VASP executable, and run a simple calculation.

  • Installation
    • Prerequisites
    • Install the plugin
  • Configurations
    • Setting up a InstalledCode for your VASP executable
    • Configure pseudopotentials (POTCARs)
  • Running a simple VASP calculation
    • Setting up the inputs
    • Run and inspect the results

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