Yambo: an \textit{ab initio} tool for excited state calculations

TL;DR

Yambo is an ab initio computational tool designed for calculating quasiparticle energies and optical properties of electronic systems using many-body perturbation theory and time-dependent density functional theory, suitable for a variety of physical systems.

Contribution

It introduces a flexible, user-friendly plane-wave code capable of handling diverse systems with efficient numerical techniques for reduced dimensionality and large degrees of freedom.

Findings

Successfully applied to various physical systems.

Efficiently handles systems with reduced dimensionality.

Provides accurate quasiparticle and optical property calculations.

Abstract

{\tt yambo} is an {\it ab initio} code for calculating quasiparticle energies and optical properties of electronic systems within the framework of many-body perturbation theory and time-dependent density functional theory. Quasiparticle energies are calculated within the $GW$ approximation for the self-energy. Optical properties are evaluated either by solving the Bethe--Salpeter equation or by using the adiabatic local density approximation. {\tt yambo} is a plane-wave code that, although particularly suited for calculations of periodic bulk systems, has been applied to a large variety of physical systems. {\tt yambo} relies on efficient numerical techniques devised to treat systems with reduced dimensionality, or with a large number of degrees of freedom. The code has a user-friendly command-line based interface, flexible I/O procedures and is interfaced to several publicly available density functional ground-state codes.