Title of article :
SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation Original Research Article
Author/Authors :
C. Voglis، نويسنده , , P.E. Hadjidoukas، نويسنده , , I.E. Lagaris، نويسنده , , D.G. Papageorgiou، نويسنده ,
Issue Information :
ماهنامه با شماره پیاپی سال 2009
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 an open source license and can be also download from .
Keywords :
Electronic properties , Optical properties , GW self-energy , Plane-waves , Object-oriented programming , Bethe–Salpeter
Journal title :
Computer Physics Communications
Journal title :
Computer Physics Communications