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arXiv · 0810.3118

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

Andrea Marini·Conor Hogan·Myrta Grüning·Daniele Varsano
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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.

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Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano. 2009-02-03. Yambo: an \textit{ab initio} tool for excited state calculations. https://doi.org/10.1016/j.cpc.2009.02.003

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