free chemist
of the hour:
Reinhard Maurer
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OS: Linux, OSX, Windows
License: GPL
Yambo is an 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.
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. 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.
In practice, the yambo project is a mixed Fortran/C code composed of a core part and many extensions. These extensions are pieces of code embodied in the main yambo trunk, that can be isolated or joint together. The result is one source but many possible executables.
The core of the yambo code plus some basical excited state features are publicly released under the GPL license. With this version of yambo you can calculate:
quasiparticle energies within the GW approximation.
electron loss and optical absorption spectra of solids, and dynamical polarizability of molecules at different level of theory.
Excitons and excitonic properties.
Yambo relies on the Kohn-Sham wavefunctions generated by two Density Functional Theory public codes: Abinit and PWscf . It is a suite of 4 different programs:
a2y: the interface to abinit
p2y: the interface to PWscf
ypp: the postprocessing tool
yambo: the main program
http://yambo-code.org
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