Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] aedh_v1_0.tar.gz(2781 Kbytes) | ||
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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_0Distribution 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.
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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. | ||

References: | ||

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

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