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 quasiparticle 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 http://www.sax-project.org/.
SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation / Martin-Samos, L.; Bussi, G.. - In: COMPUTER PHYSICS COMMUNICATIONS. - ISSN 0010-4655. - 180:8(2009), pp. 1416-1425. [10.1016/j.cpc.2009.02.005]
SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation
Bussi, G.
2009-01-01
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 quasiparticle 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 http://www.sax-project.org/.| File | Dimensione | Formato | |
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