SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation

2019-07-22T08:27:37Z (GMT) by Layla Martin-Samos Giovanni Bussi
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We present here SaX (Self-energies and eXcitations), a plane-waves package aimed at electronic-structure and optical-properties calculations in the GW framework, namely using the GW approximation for quasi-particle properties and the Bethe–Salpeter equation for the excitonic effects. The code is mostly written in FORTRAN90 in a modern style, with extensive use of data abstraction (i.e. objects). SaX employs state of the art techniques and can treat large systems. The package is released with ... Title of program: SaX (Self-energies and eXcitations) Catalogue Id: AEDF_v1_0 Nature of problem SaX is designed to calculate the electronic band-structure of semiconductors, including quasi-particle effects and optical properties including excitonic effects. Versions of this program held in the CPC repository in Mendeley Data AEDF_v1_0; SaX (Self-energies and eXcitations); 10.1016/j.cpc.2009.02.005