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AiiDA-VASP

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  • Tutorials
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  • Getting started
  • Tutorials
  • Workflows
  • Concepts
  • How-to guides
  • Development
  • API Reference
  • Changelog
  • Frequently Asked Questions (FAQ)
  • GitHub

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  • Single point and general calculation
  • Geometry optimisation
  • Band structure and density of states
  • Tutorials

Tutorials#

Here we provide a series of tutorials to help you get started with aiida-vasp. There are several ways to use aiida-vasp. Here we start with the easiest interface - using the BuilderUpdater class that allows you to create workflows using pre-define, customizable templates for both calculations parameters and settings for code execution.

  • Single point and general calculation
  • Geometry optimisation
  • Band structure and density of states

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Running a simple VASP calculation

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Single point and general calculation

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