yambo-aiida
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  • Get started
  • WorkChains for AiiDA-Yambo
  • Modules provided with aiida-yambo (API reference)
yambo-aiida
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  • Get started
    • Overview
    • Installation
      • Getting the plugin
      • Setup Yambo on AiiDA
    • First steps: DFT to Yambo initialization
      • First steps into MBPT calculations
        • SCF step (Quantum ESPRESSO)
        • NSCF step (Quantum ESPRESSO) for G0W0
        • P2Y step (Yambo)
    • Plugin tutorial: a G0W0 calculation
      • G0W0 calculations
        • Setting up the first G0W0 calculation
    • Plugin utilities & tips
      • Settings of a YamboCalculation
      • Primer on Yambo parallelizations
      • Parsing results using built-in functions
  • WorkChains for AiiDA-Yambo
    • Description
    • Simple YamboRestart workchain
      • YamboRestart
    • A Complete YamboWorkflow
      • YamboWorkflow
    • YamboConvergence: automated convergence
      • YamboConvergence: automated convergence
    • Alternative use of YamboConvergence: fixed-path investigation
      • YamboConvergence: fixed-path
    • Post processing utilities
      • Plot results of YamboConvergence - ‘1D_convergence’
      • Plot results of YamboConvergence - fixed-path(‘2D_space’)
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© Copyright 2015-2020, ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL)), Switzerland and CNR NANO Modena, Italy. All rights reserved. Revision 85e709a9.

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