logo

Highlights

FLASH-IT

Main menu

HomeNewsPeopleDownloadRun the codeInput fileTutorialsDocumentationPublicationsEventsContacts Forum

The Wikipedia Page of Yambo Yambo@Wiki

Fortran cafe The Fortran Cafe'

Bethe-Salpeter wine The Bethe-Salpeter-Equation (BSE) wine

A street entitled to Yambo in Rome
A bar entitled to Yambo in Rome
A bar entitled to Yambo in Rome Yambo road, bar & restaurant

Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics. Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf. The code was originally developed in the Condensed Matter Theoretical Group of the Physics Department at the University of Rome "Tor Vergata" by Andrea Marini. Previous to its release under the GPL license, yambo was known as SELF.

Yambo is an important member of the key group of ab initio spectroscopy codes supported by the European Theoretical Spectroscopy Facility.

See features for an extensive overview or enjoy the view of the developers' faces.

If you want to know more follow the documentation links or read the Quick Guide and Frequently Asked Questions.

News

  • 19th-30th Janaury, 2015
  • 3rd African School on 'Electronic Structure Methods and Applications' (ASESMA-2014). Johannesburg, South-Africa
  • The African School series on Electronic Structure Methods and Applications (ASESMA) is planned on a biennial basis from 2010 to 2020. The 2014 edition will be hosted by the University of Witwatersrand in Johannesburg, South-Africa. The schools emphasize the theory and computational methods for predicting and understanding properties of materials through calculations at the fundamental level of electronic structure. Previous schools were held in Cape Town, South Africa (2010) and Eldoret, Kenya (2012).
  • 28-29th May, 2014
  • Yambo developers Meeting (CNR, Montelibretti).
  • The 2014 Yambo developers meeting will take place in the CNR scientific area of Montelibretti.
  • 16/05/2014
  • Yambo2014@Rome. Pictures uploaded!
  • The Pictures of the first Hands-on tutorial of Yambo are now online! Take a look at the nice and relaxed faces of students and lecturers!
  • 23-26th April, 2014
  • Computer modelling of materials at the nanoscale: an introduction and hands-on tutorial with the QUANTUM ESPRESSO distribution & YAMBO code (Tokyo, JAPAN).
  • The Yambo Team is pleased to announce the first Hands-on in Japan! Starting from a general introduction to DFT for electronic-structure calculations and geometry optimization in periodic and finite systems, more advanced topics will be covered, including the simulation of chemical reactivity, using NEB and advanced sampling techniques, and of dynamical processes and excited-state properties using Time Dependent DFT and Many Body Perturbation Theory methodologies.
  • 26/02/2014
  • Yambo 3.4.1 version available
  • The new version of Yambo, 3.4.1, is available on the SVN repository. This is an upgrade of the developing version 3.4.0. It contains several bug-fix, an improved version of the p2y interface for PWscf with the KB form factors included natively and the new e2y interface for Abinit based on the ETSF/IO. Please check the documentation.
  • 12/02/2014
  • QE-forge.org back online
  • The qe-forge.org server is back online, in the same state it was on February 8th before the crash. Please contact support@qe-forge.org if you notice any problem.
  • 12/02/2014
  • QE-forge.org down
  • The QE-forge.org site is unreachable and all hosted services: download, svn, mailing lists, are unavailable, until further notice. We are making our best to restore the data, but it will take some time.
  • 22/01/2014
  • Yambo2014 Hands-on, to be held on 7-9 May 2014 at CINECA in Rome, will be funded by the Psi-k Charity
  • The Yambo Team is pleased to announce the second Hands-on entirely dedicated to Yambo: Hands-on Tutorial on Excited State Spectroscopy: GW and BSE using the Yambo code. The school is aimed at PhD students, post-docs, and researchers and will provide training in the calculations of electronic and optical properties of materials by means of many body perturbation theory (MBPT).
  • 11/12/2013
  • BREAKING news! New super-parallel Yambo broke the 10'000 COREs wall running on a total of 16'384 COREs!
  • In the last months A. Marini and A. Ferretti have collaborated on a daily basis on the new parallel infrastructure of Yambo. While A. Marini has been mainly involved in the MPI part A. Ferretti has done an amazing work on the OpenMP sub-structure. The result is that few days ago a complete GW calculation on a large nano-structure was run on the new FERMI super-machine in CINECA using a total of 16384 cores.
    The two Andrea's (Marini and Ferretti) are now moving this brand new MPI+OpenMP structure to the Bethe-Salpeter Equation. While this may take a few months now we do know that the very basic structure does work and we can spread it all over the code.
    Moreover the run that reached 16384 cores was not still showing a complete saturation and we do think that by increasing the size of the system we can use even a larger number of cores. So stay tuned and wait for more news.
    Scaling of a typical Yambo run on the Fermi BlueGene/Q super-machine. This runs uses up to 1024 nodes that are connected by using MPI communicators. Each MPI node uses OpenMP parallelization distributed on 16 cores. This corresponds to an amazing total number of cores equal to 16384. Scaling of the OpenMP parallelization relative to the only OpenMP part. It is interesting to see a very good overall scaling and even a good performance in the hyper-threading regime.

  • 7/11/2013
  • Yambo on the NEWS!








  • Yambo is again on the news for a recent reserach on boron nitride nanotubes.

    Claudio Attaccalite, Ludger Wirtz, Andrea Marini, Angel Rubio. Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible. Scientific Reports 3, 2698 (2013) (Nature Publishing Group)

    (...)Scientists are usually after defect-free nano-structures. Yet in this case the UPV/EHU researcher Angel Rubio and his collaborators have put the structural defects in boron nitride nanotubes to maximum use. The outcome of his research is a new light-emitting source that can easily be incorporated into current microelectronics technology. The research has also resulted in a patent.(...)

    (...)This research has been conducted by using Yambo by the NanoBio Spectroscopy Group (ETSF-Centre for Scientific Development, Department of Materials Physics, Faculty of Chemistry of the UPV/EHU), led by Prof Ángel Rubio, in collaboration with Dr Ludger Wirtz (University of Luxembourg), Dr Claudio Attaccalite (University of Grenoble) and Dr Andrea Marini (CNR Italian Research Council - Rome).(...)

    Keep reading the Paper.








  • 10/10/2013
  • Two new developers in the Yambo Team!
  • We have two new developers in te Yambo Team! Andrea Ferretti (Modena, Italy) and Pedro Melo (Coimbra, Portugal).
  • 23/04/2013
  • Yambo 3.4.0 developing version available
  • The new version of Yambo, 3.4.0, that includes surface spectroscopy, electron-phonon coupling and Magneto-optics is available on the SVN repository. With this version also the structure of the input files is changes. Please check the documentation. Notice that this a developing version, therefore we advice against use it for production runs.
  • 15/04/2013
  • Yambo-2013 Workshop lectures and pictures added
  • The lectures and some pictures of the latest Yambo Hands-on Tutorial held in Lousanne from 7th to 12th of April has been added in the Yambo 2013 home page. Also the tutorials and lectures pages have been revised.
  • 04/03/2013
  • Yambo on the CINECA news!
  • The new beta version of Yambo broke the 1000 CPU wall by running on the new FERMI super-machine in CINECA. This giant step forward in the development of Yambo was possible thanks to an innovative CPU distribution inside the code structure. In this new version of Yambo the user has several new parameters to perform a fine tuning on the distribution of tasks among the different levels of CPU. Indeed the code can use dynamical work allocation in order to assign to the same CPUs different tasks during a single run. This beta version of Yambo will be released shortly to the user community. After a first period of testing this innovative CPU distribution will become the standard code internal structure. This work has been supported by CINECA in the framework of the PRACE 2IP activity in collaboration with the developer's team. Yambo users' community is rapidly growning, in particular in Italy. This achievement permits now to consider Yambo as a mature code, at the pace of HPC challenges. In particular, this is an important milestone that makes Yambo very suitable for PRACE Tier-0 architectures, like FERMI.

  • 27/02/2013
  • Yambo gets the spin (Yambo 3.3.0)
  • A new version of Yambo that supports spin is available on qe-forge. All kind of calculations: optics, GW, Bethe-Salpeter are possible for spin-polarized systems and for systems with spinors and spin-orbit coupling. This release includes also several improvements and different bug fixes.
    For more information on how to obtain the code visit the Download section.
  • 17/02/2013
  • Yambo broke the 1000 CPU wall!
  • The new beta version of Yambo broke the 1000 CPU wall by running on the new Fermi super-machine in Cineca. This giant step forward in the development of Yambo was possible thanks to an innovative CPU distribution inside the code structure (outlined in the side picture).This is the report of one of the runs performed that report on the number of CPU used and on the number of chains among which the CPU were distributed.
    [01] CPU structure, Files & I/O Directories =========================================== CPU : 1024 CPU structure:1024(total)-1(threads) CPU structure:X_q_0(environment)-8.64.2(CPUs)-k.c.v(ROLEs) CPU structure:X_all_q(environment)-2.8.32.2(CPUs)-q.k.c.v(ROLEs) MPI CHAINS : 10 MPI CPU : 1024 THREADS : 1 I/O NODES : 1
    In this new version of Yambo the user has several new parameters to perform a fine tuning on the distribution of tasks among the different levels of CPU. Indeed the code can use dynamical work allocation in order to assign to the same CPUs different tasks during a single run. This beta version of Yambo will be released shortly to the user community. After a first period of testing this innovative CPU distribution will become the standard code internal structure.

  • 12/02/2013
  • Yambo on the PRACE magazine: a joint collaboration on electron phonon of A. Marini, E. Cannuccia, M. Voros and A. Gali
  • Paving the Way toward Third Generation Photovoltaic Power? The coupling between the electronic and atomic degrees of freedom plays a key role in several physical phenomena – not only in the superconductivity of materials. By investigating and manipulating the effect of this coupling researchers hope to discover – among others – new and more efficient sources of renewable solar energy.

  • 29/01/2013
  • New release: Yambo 3.2.5 (rev30)
  • The Yambo team is pleased to inform you that a new release of Yambo is available from the qe-forge portal and the SVN repository. This release includes several new features:

    • Added Wannier 90 interface in ypp. Now it can read the QP energies from a db.QP database and rewrite them using the correct Wannier 90 format.
    • Support for finite electronic temperature calculations.
    • LIBXC support as integrated source (v 1.2.0) and internal XC-functional interface.
    • Support for the GGA-family of XC functionals.
    • Parallel compiler in configure.
    • Added also the Bruneval-Gonze terminator for the self-energy
    • p2y now works with QE v5.0
    • p2y implementation of [r,Vnl] (p2y -c) extendend to all pseudo-potentials
    • Possibility to specify unoptimized Fortran flags UFLAGS
    • Possibility to flush output into files, call of_open_close(filename,'f')
    • ypp -s b band structure interpolation (using PRB 38 p2721)
    • G-shells finder rewritten and parallelized
    • a2y interface improved. WFs data-bases written in component space. G-shells closed when t-rev or space-inv are present
    • Wave-function distributed among processors to reduce memory usage: yambo -M

    and different bug fixes.
    For more information on how to obtain the code visit the Download section.

  • 8-12 April 2013. CECAM Headquarter, Lausanne
  • Yambo hands-on tutorial on electronic and optical excitations: from basic to advanced applications
  • The Yambo Team is pleased to announce the first Hands-on entirely dedicated to Yambo. The present hands-on tutorial aims to provide the students with the basic aspects of DFT and TDDFT and with basic as well as more advanced aspects of the GW and BSE methods. Theoretical lectures on the foundations of the methods will be completed with technical lectures on numerical and computational aspects. A significant part of the school will be then dedicated to hands-on tutorials, where the students will be given the opportunity to carry out excited state calculations on several paradigmatic systems using the Yambo code, under the guide of the code developers who will be present as teachers at the school.
    For the occasion of the school, moew extensions of the Yambo code will be released under the GPL licence and will form part of the school program, giving to the attendees the chance of learning very advanced methods, and providing them with critical tools to purse their research activity. Specifically, spin-polarized phenomena, surface spectroscopies and electron-phonon coupling.
  • 14-18 January 2013
  • Hands-on Tutorial on Electronic Structure Computations
  • Yambo is one of the codes that will participate to the ICTP Hands-on Tutorial on Electronic Structure Computations. A pratical and a theoretical lectures on the GW and BSE methods will be given by A. Marini.
    This Hands-on Tutorial will directly follow the "16th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods" (January 10-12, 2013). The goal of this Tutorial is to link the theoretical presentations of the Workshop with practical courses in the ICTP's computer laboratories.
    The activity will be held at the Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy from 14-18 January 2013 with the co-sponsorship of CNR-IOM DEMOCRITOS National Simulation Center and SISSA.
    The first part of the Tutorial (three days) will focus on key computational techniques employing density-functional theory in a planewave-pseudopotential framework, and will be based on the Quantum ESPRESSO suite of programs. Advanced topics covered will include:
    • electronic transport
    • excitations (TDDFT and GW)
    The second part of the Tutorial (two days) will be devoted to Quantum Monte Carlo (QMC). The main focus will be on variational and diffusion QMC.
  • June 2012
  • Yambo: present, past and future. PRACE meeting in Paris
  • Claudio Attaccalite presented Yambo in the PRACE Second Face to Face Meeting: Paris, June 11-13 2012. This meeting purpose is to gather several scientists around europe that are developing cutting-edge codes for advances numerical simulations. PRACE aim is, indeed, to provide this selected family a specific technical support to run on next generation super-computers.
  • June 2012
  • Yambo: a(nother) cover story!
  • After being on the cover page of the Journal of Chemical Physics in 2009 Yambo did it again. The paper Optical characterization of gold chains and steps on the vicinal Si(557) surface: Theory and experiment by Conor Hogan, Niall McAlinden and John F. McGilp has been choosen as Editor's choice and will appear on the front page of the Physical Status Solidi b journal.
    Stepped surfaces of silicon act as a natural template for engineering one-dimensional nanostructure arrays through self-organization of metal adsorbates. In a joint experimental-theoretical study, chosen as Editor's Choice and Cover Image for phys. stat. sol (b) (June 2012 issue), Yambo was used to investigate the optical and electronic properties of clean and gold-covered Si(557), a vicinal Si(111) surface that features densely packed, single atomic gold chains parallel to the step edge. Using reflectance anisotropy spectroscopy and density functional theory simulations, the authors identified optical "fingerprints" deriving from specific structural motifs such as gold chains, silicon honeycomb structures, and terrace adatoms. The work will drive a deeper understanding of more complicated double and triple chain reconstructions of nominal and vicinal Si(111):Au.

    Yambo on the PSS(b) cover!

  • 23/04/2012
  • Pictures and Tutorial files of the CECAM tutorial organized by A. Marini, F. Giustino, P. Umari and A. Rubio in Lousanne added in the events page
  • 22/03/2012
  • Pictures of the Yambo schools in Benasque (Spain) and San Paolo (Brasil) added in the events page
  • 20/02/2012
  • Open position for Postdoctoral researcher within the European Project PRACE-2IP
  • The PRACE (Partnership for advanced computing in Europe)-2IP project aims to create a persistent pan-European HPC service providing world-class systems for world-class science. The researcher will contribute to the task WP8 of the PRACE-2IP project: “improving the petascale performance of scientific codes in the fields of Condensed Matter Physics”.
    In the specific the researcher will work at the scientific codes Yambo and Octopus.
    The researcher will be integrated in the Condensed Matter group of the Center for Computational Physics of the University of Coimbra lead by Prof. Fernando Nogueira and collaborate with the developers of the Yambo and Octopus scientific codes.
    Candidates should have experience in electronic structure ab-initio simulations, advanced numerical methods, and programming (preferably in Fortran95 and C).
    The scholarship will amount to 1495 euros/month and will last 12 months.
    Applications should contains a letter of application, a curriculum vitae and other elements considered relevant such as publications (with a maximum of 3) The deadline for applications is on the 02/03/2012. Results of the evaluation will be communicated on 16/04/2012 at the latest.
    Applications and inquires should be directed by e-mail to Prof. Fernando Nogueira. (fnog at uc_mail, uc_mail=uc.pt)
  • 12/01/2012
  • New release: Yambo 3.2.5 (rev26)
  • The Yambo team is pleased to inform you that a new release of Yambo is availablefrom the qe-forge portal and the SVN repository. This release includes several new features:

    • Possibility to link FFT different from FFTW for example MKL one see http://www.yambo-code.org/download/compiling.php
    • Added a routine (variables_X) to handle the description strings of the response function
    • ERIM for the BSE moved in GPL
    • eval_minus_G.F. In order to do BSE calculations with fractional occupations the coupling is necessary. Before this commit, however, non-resonant calculations were possibile only by using the Time-Reversal. This condition has been removed by introducing a table to find the indexes of the -G vectors.
    • Introduced computer space unts: Kilobyte, Megabyte, Gigabyte
    • [a2Y] Support to read infos for HGH psps from a patched version of abinit.
    • [A2Y] Added support to pseudopotential projectors.
    • Added PARALLEL support to p2y. It can now run in parallel.
    • [P2Y] Added several PW-based routines to import the commutator of the non-local pseudo.
    • A new option for p2y (-c)
    • Fragmentation of db.dipoles and db.kindx.
    • ioKB_PP.F: the db kp_bb is fragmented when -S is given in the command line. Needed to overcome netcdf limitation in max # of vars (8129). Also found that for large grid calculations (though below the netcdf restrictions) are speed up by this option.
    • The logical that drives the parallel I/O was wronlgy defined. Errors in parallel I/O after call to the IO_and_Messaging_switch fixed.
    • Wrong number of energy steps COHSEX

    For more information on how to obtain the code visit the Download section.

  • April 16, 2012 to April 18, 2012
  • GW quasiparticle calculations in condensed matter physics and nanoscience
  • This school is organized by: Paolo Umari (Università degli Studi di Padova, Italy), Andrea Marini (University of Rome II, Italy), Angel Rubio (Universidad del País Vasco, Spain) and Feliciano Giustino (University of Oxford, United Kingdom).
    With this tutorial we want the students not only to learn the use of some of the GW codes freely accessible to the scientific community but also to be aware of the most important technical and theoretical aspects which are behind such methods. Therefore we will address several non-standard applications of the GW method like the calculation of the electronic lifetimes or total-energies. In addition the numerical procedures that define the basis of a successful GW calculation will be extensively discusses. We will dedicate specific lectures to choice of an accurate sampling of the Brillouin Zone, especially in low-dimensional systems like nano-structures that represent an important class of systems studied in the scientific community. We will also discuss the impact of the used basis (plane-waves versus localized basis) and the impact of pseudo-potentials versus all-electrons calculations.
More news here