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Manuscript Title: yambo: an ab initio tool for excited state calculations
Authors: Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano
Program title: yambo
Catalogue identifier: AEDH_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 180(2009)1392
Programming language: Fortran 95, C.
Computer: any computer architecture, running any flavor of UNIX.
Operating system: GNU/Linux, AIX, Irix, OS/X.
Has the code been vectorised or parallelized?: Yes
RAM: 10-1000 Mbytes
Keywords: many-body perturbation theory, density functional theory, time-dependent density functional theory, self-energy, Bethe-Salpeter equation, excitons, quasiparticles, plasmons.
PACS: 71.35.-y, 71.15.-m, 71.45.Gm, 71.15.Qe.
Classification: 7.3, 4.4, 7.2.

External routines:
  • BLAS (http://www.netlib.org/blas/)
  • LAPACK (http://www.netlib.org/lapack/)
  • MPI (www-unix.mcs.anl.gov/mpi/) is optional.
  • BLACS (http://www.netlib.org/scalapack/) is optional.
  • SCALAPACK (http://www.netlib.org/scalapack/) is optional.
  • FFTW (http://www.fftw.org/) is optional.
  • netCDF (www.unidata.ucar.edu/software/netcdf/) is optional.

Nature of problem:
Calculation of excited state properties (quasiparticles, excitons, plasmons) from first principles.

Solution method:
Many body perturbation theory (Dyson equation, Bethe Salpeter equation) and time-dependent density functional theory. Quasiparticle approximation. Plasmon-pole model for the dielectric screening. Plane wave basis set with norm conserving pseudopotentials.

Unusual features:
During execution, yambo supplies estimates of the elapsed and remaining time for completion of each runlevel. Very friendly shell-based user-interface.

Additional comments:
yambo was known as "SELF" prior to GPL release. It belongs to the suite of codes maintained and used by the European Theoretical Spectroscopy Facility (ETSF) [1]

Running time:
The typical yambo running time can range from a few minutes to some days depending on the chosen level of approximation, and on the property and physical system under study.

[1] The European Theoretical Spectroscopy Facility, http://www.etsf.eu