Quasi-particle properties

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In this tutorial you will learn how to:

  • calculate quasi-particle correction in HF approximation
  • calculate quasi-particle correction in GW approximation
  • How to choose the input parameter for a meaningful converged calculation
  • How to plot a band structure including quasi-particle corrections


The HF approximation (yambo -x)

As you have seen in the lectures or textbook the GW self-energy is separated into two components named exchange self-energy (Σx) and correlation self-energy (Σc):


We start by evaluating the exchange Self-Energy and the corresponding Quasiparticle energies (Hartree-Fock energies).


It is important to note that this way we are adding the HF contribution in a perturbative way to previously calculated DFT energies:


and hence they will differ from a standard self-consistent HF calculation. Let's start by building up the input file for an HF calculation by typing:

yambo -x -V all -F hf.in