Quasi-particle properties

UNDER CONSTRUCTION (DV)

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

Prerequisites

• Complete the Generating the Yambo databases tutorial
• SAVE folder for bulk hBN.
• yambo executable
• ypp executable
• Run Initialization

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. It is important to note that this way we are adding the HF contribution to previously calculated DFT energies and hence they will differ from a standard self-consistent HF calculation.