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News

  • February, 27th 2017
  • MaX newsletter
  • MaX is a European Centre of Excellence for Materials Design at the Exascale. This newsletter informs you on some of MaX activities: have a look at our web portal for more information on MaX, its team and its flagship codes.

    The first number of the MaX newsletter has been published! Have a look and register!

    *** Subscribe to the MaX Newsletter!***

  • February, 3rd 2017
  • Psi-k Poster
  • The poster for the 2017 Psi-k funded workshops has been released.
    The Yambo school among the first events of the year. You can download a poster from here and distribute to your colleagues. Dont' miss to apply for the Yambo school.

    *** The application deadline is on February 24th, 2017 ***

  • January, 23th 2017
  • Yambo 2017 Hands-on, to be held on 24th-28th April 2017 at CECAM-HQ-EPFL, Lausanne, Switzerland. It will be funded by , Psi-k Charity the MaX Center of Excellence and the University of Luxembourg
  • The Yambo Team is pleased to announce the fourth Hands-on entirely dedicated to Yambo: Advanced computing of excited state properties in solids and nanostructures with Yambo. 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).

    *** The application deadline is on February 24th, 2017 ***

  • January, 19th 2017
  • Yambo-Fermi Meeting
  • AREA Science Park, 34149 Basovizza, Trieste.

    The MaX (Materials design at the Exascale) center, the Istituto per la Struttura della Materia of the CNR (CNR-ISM), the NEWLI project sponsor the first Yambo-EIS (Elastic and Inelastic Scattering beamline) Meeting

    On 24/1/2017 the main topics will be the “FEL experiments at the Elastic and Inelastic Scattering (EIS) beamline (FERMI)” by the EIS team, and “YAMBO: The code and its potential use as an user-based tool” by Andrea Marini.

    On 25/1/2017 “YAMBO: The Non-Equilibrium and real-time features” will be presented by Andrea Marini and a Round Table: “Discussion on possible collaborations EIS-YAMBO” will follow.
  • December, 22th 2016
  • Yambo Greetings
  • December, 22th 2016
  • Publication page updated
  • Publications list of Yambo updated using the scholar engine. Up to today we found 340 sources citing the 2009 CPC paper.
  • December, 16th 2016
  • Yambo-CINECA meeting
  • Yambo-Cineca meeting (In the picture, from left to right: Andrea Ferretti, Fabio Affinito, Carlo Cavazzoni, Ivan Marri, Andrea Marini and Davide Sangalli). The strategies for a the future development, testing, profiling and benchmarking of Yambo on the most up-to-date HPC architettures have been discussed and planned. This is the last of a long and fruitful collaboration between Yambo and Cineca.
  • February, 25th 2016
  • Yambo-py online on the Yambo page
  • The yambopy project aims at providing a simple set of python scripts to read and edit yambo input files. The primary objective is to make the convergence tests easier.
  • 9/2/2016
  • A new developer in the Yambo Team! Henrique Pereira Coutada Miranda from University of Luxembourg.
  • The Yambo Team is proud to announce that a new developer joined our Team! Welcome Henrique!

    Woah! With Henrique Yambo reaches the top-of-the-mountains number of developers: 14! Congrats to US!
  • 11-12th January, 2016
  • Yambo developers Meeting (CNR, Montelibretti).
  • The 2016 Yambo developers meeting, organized by CNR-ISM (Roma Montelibretti) was held in Rome.
  • 10/10/2015
  • A new developer in the Yambo Team! Alejandro Molina-Sanchez from University of Luxembourg.
  • The Yambo Team is proud to announce that a new developer joined our Team! Welcome Alejandro!

    Alejandro is actually working at Physics and Materials Science Research Unit, University of Luxembourg and his filed of research is mainly focused on ultra-fast spectroscopy in two-dimensional materials.
  • 1/10/2015
  • yambo @ March Meeting 2016
  • The Yambo Project has been invited to participate to the 2016 APS March Meeting at Baltimore (USA) in the session “International cooperative efforts for electronic structure methods”. This is another chance to bring Yambo over sea in the immense American users reservoir. Good luck Yambo, for this new adventure!
  • 30/9/2015
  • yambo @ IPCC
  • The forum of the Intel Parallel Computing Centers (IPCC) in the EMEA region will be held in Munich from 6th to 8th of October. Yambo will be one of the codes presented at this meeting and Cineca, as italian IPCC, will present the optimization and development work performed in the last two years. The improvement of the parallelization will be showed to the audience and a discussion with the experts from Intel will give some insight for the work to be done in the future years.
  • 28/9/2015
  • yambo @ IXPUG 2015
  • Yambo and QE will be present at the Annual Meeting 2015 of IXPUG (Intel Xeon Phi Users Group) , Sept 28 - Oct 2, Berkeley CA. The event will be held at Lawrence Berkeley National Laboratory and aimed at gathering an active community of users and software developers interested in the opportunities provided by the Xeon Phi architecture. The work done on Yambo and QE both in terms of hybrid MPI+OpenMP parallelism and XP support will be presented in the thematic workshop: Density Functional Theory (DFT) for Exascale Community Workshop
  • 19/6/2015
  • Yambo 4.0.1 released.
  • The Yambo Team is proud to announce that a new version of Yambo has been released. This new release includes several changes and bug fixes. The release notes can be found here.
  • 22/5/2015
  • A new developer in the Yambo Team! Fabio from CINECA!
  • The Yambo Team is proud to announce that a new developer joined our Team! Welcome Fabio!

    Fabio has worked a lot on the Yambo source and he is a member of the most prestigious Italian High Performance Computing Center (CINECA). The contribution from Fabio will be precious in the future development of the code towards a more aggressive parallel structure.

    Fabio will surely help Yambo to grow and reach new efficiency, performance and speed limits!
  • 09/4/2015
  • Yambo ver. 4.0.0 now released! A BIG BIG step forward!
  • The Yambo Team is proud to announce the release of the new devel version of yambo! This version implements huge improvements of the parallel environment over the current stable source.

    Checkl the download page for more informations about how to get the latest devel version.


    Introduction:
    Starting from this version Yambo implements a massive parallelization scheme based on a pyramidal organization of CPU's among many different levels.

    See here for more informations and check the new tutorial to have a first practical introduction to the new code functionalities.

    This version is in devel status. This means that, in the next months, we will fix all possible bugs and mis-functionalities reported by the users. When the new source will be stable enough it will made the new stable version.

    Compared to the stable version the new yambo devel release includes many changes, bug fixes and new structures. From a deep point of view the old source has been revolutionized.

    Additions:
    Yambo 4.0.0 now can be linked to a wealth of external libraries. Several common and/or vendor specific FFT libraries are now supported. In addition the standard NETCDF, libxc, ETSF-IO and IOTK libraries can be downloaded, configured and installed during the configuration process using the very same compilation flags used for Yambo.

    Changes:
    The new parallel structure is based on a brand new MPI+OPENMP environment. This has imposed several deep changes of the code structure. These changes now allow Yambo to implement:

    -an efficient workload distribution, up to thousands of cores.
    -an efficient memory distribution
    -a controllable I/O that can be even reduced to no databases written (except the output files) and only a minimal reading of the wave-functions (via a buffering system)
  • 23/2/2015
  • A new developer in the Yambo Team! Ryan McMillan from Belfast!
  • The Yambo Team is proud to announce that a new developer joined our Team! Welcome Ryan!!!!
  • 23/02/2015
  • Picture from the 2015 ETSF Collaboration Team on Electron-Vibrational Coupling Meeting in Rome are now online
  • 12/02/2015
  • ASESMA 2015 pictures now online
  • 08/01/2015
  • Yambo2015 Hands-on, to be held on 13th-17th April 2015 at CECAM-HQ-EPFL, Lausanne, Switzerland. It will be funded by and Psi-k Charity
  • The Yambo Team is pleased to announce the third Hands-on entirely dedicated to Yambo: Excitations in Realistic Materials using Yambo on Massively Parallel Architectures. 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).

    *** The application deadline is on February 27th, 2015 ***

  • 15th-16th Janaury, 2015
  • ETSF Collaboration Team on Electron-Vibrational Coupling [Link]
  • The European Theoretical Spectroscopy Facility (ETSF) is a research network and e-infrastructure dedicated to providing support and services for ongoing research in academic, government and industrial laboratories.
    The ETSF is now supporting the formation of top-level working groups about specific and advanced fields of ab-initio excited state theoretical spectroscopy.
    One of these fields is Electron-Vibrational Coupling(EVB).
    The Collaboration Team on Electron-vibrational Coupling meeting in Berlin, in April this year, was a great success! There was many particpants that animated the meeting with plenty of discussions, talks, contributions.
    The atmosphere was exciting and stimulating.
    Next meeting will be held in Rome on January 15 and 16, 2015.

    If you want to join the Collaboration Team and participate to the meeting please contact Andrea Marini (andrea.marini@cnr.it).
  • 19th-30th Janaury, 2015
  • 3rd African School on 'Electronic Structure Methods and Applications' (ASESMA-2015). 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).

    Lectures
    Introduction to MBPT (I)
    Introduction to MBPT (II)
    Introduction to MBPT (III)
More news here
  • 28-29th May, 2014
  • Yambo developers Meeting (CNR, Montelibretti).
  • The 2014 Yambo developers meeting, organized by CNR-ISM (Roma Montelibretti) will be hosted by CINECA in the ex-CASPUR facilities (via dei Tizii 6, Rome).
  • 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 the 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.
  • 2 to 5 October, 2012
  • 17th ETSF Workshop on Electronic Excitations: Advanced Green's function methods
  • The 2012 ETSF workshop will return to the fundamentals of theoretical spectroscopy, providing the in-depth coverage of Green’s function, perturbative, and non-perturbative theories which is necessary to push the field forward. It is thanks to this type of workshop that students receive solid and complete foundations in many-body and excited-state theory, and that experts have the time and opportunity to foster cutting-edge collaborations. ETSF 2012 will address many-body perturbation theory (GW, BSE), time-dependent density functional theory (TDDFT), quantum chemical methods and quantum transport (equilibrium and non-equilibrium). Experts both from within and outside the ETSF will be convened, and sessions will be followed by round-table format discussions, which have proven popular in past editions, and maximize exchange and collaboration.
  • 18 -29 June 2012 (Les Houches - France)
  • Les Houches school in computational physics: ab initio simulations in condensed matter
  • This 10 days school is intended to offer a large panorama of the techniques used in the condensed matter ab initio simulation community. Covering the basics formalisms (DFT, many-body-perturbation-theory, etc.) and their applications (molecular dynamics, vibrational, electronic, optical, or transport properties), formal lectures will be completed by hands-on computer sessions on well distributed packages (including Yambo).
    For more information: Ècole de Physique des Houches.
  • 3 -12 January 2012 (Benasque - Spain)
  • Time-Dependent Density-Functional Theory: Prospects and Applications 5th International Workshop and School
  • The school will be attended by a maximum of around 40 students, and will last 9 days, with theoretical sessions in the mornings and practical (tutorial) sessions in the evenings. The school will start Wednesday January 4th in the morning and will end Thursday January 12th in the evening. The theoretical sessions will consist of four 45m lectures. The practical sessions will last for 3 hours and a computer will be allocated for each two students. This will allow the students to have some time every day for studying and talking to the teachers. Basic knowledge on ground state DFT calculations is required. Yambo hands-on sessions will be held during the school.
    For more information: Benasque 2012.
  • 5 – 16 September 2011 (Santo Andre' - Brazil)
  • São Paulo ICTP/TWAS Advanced School on Computational Materials Science for Energy and Environmental Applications
  • The Abdus Salam International Centre for Theoretical Physics is organizing in collaboration with the Fundação de Amparo à Pesquisa do Estado de São Paulo, Brazil (FAPESP), the Universidade Federal do ABC (UFABC), the CNR-IOM Democritos Simulation Center, Trieste, and the Academy of Sciences for the Developing World (TWAS) an Advanced School on Computational Materials Science for Energy and Environmental Applications to be held in Santo André, Brazil from 5 to 16 September 2011.
    The School will include a series of advanced talks covering the latest developments as well as a series of hands-on tutorials based on public license computer codes, high-performance computing and classical molecular dynamics and Monte Carlo codes.

    Yambo has been invited to prepare a lecture and an hands-on session for the school.

    Applicants from all countries that are members of the United Nations, UNESCO or IAEA may attend. As the Workshop will be conducted in English, participants should have an adequate working knowledge of this language. Limited funds are available for participants who are not more than 45 years old. Such support is available only to those ttending the entire activity. There is no registration fee.

    HOW TO APPLY FOR PARTICIPATION
    The Online Application can be accessed at the activity website.
    Secretariat: Ms. Rosa del Rio (smr 2277),the Abdus Salam International Centre for Theoretical Physics
    Strada Costiera 11 - 34151 Trieste, Italy
    Telephone: +39-040-2240396 - Telefax: +39-040-22407396
    E-mail:smr2277 at ictp.it
    Application DEADLINES:
    19 June 2011 (if requiring Visa)
    or 15 July 2011 (if not requiring Visa)
  • 23/05/2011
  • New release: Yambo 3.2.4 (rev17)
  • 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:

    • Frequency dependent correction to the LRC TDDT kernel. By S. Botti (Phys. Rev. B 72, 125203 (2005))
    • On-the-fly database to RESTART interupted GW calculations
    • minor bugs corrections and improved configuration scripts

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

  • 18/5/2011
  • 16th ESFT Workshop on Electronic Excitations: registration open
  • The registration for the 16th ETSF Workshop on Electronic Excitations is now open at http://workshop.etsf.eu.
    The workshop will be held in Turin from 27 to 30 of September and will point to a stronger and deeper exchange and dialogue with the community of experimentalists, besides addressing, as usual, recent methodological advances e.g. in many-body perturbation theory (GW, BSE), time-dependent density functional theory, quantum chemical methods or quantum transport.
    Each section of the workshop will be dedicated to a kind of spectroscopy and introduced by invited talks from theory and experiment. Abstracts will be considered for contributed oral presentations in the appropriate sessions.
    Deadline for registration, payment and abstract submission is on the 30th of June. You can find all practical information at the conference website: http://workshop.etsf.eu.
  • 05/5/2011
  • PostDoc Position
  • Post-Doc Position at Institut Néel, CNRS, Grenoble, France
    in the "Theory and Numerical Simulation of Electronic Properties" group
    Subject: "Ultrafast and non-linear phenomena at the nano-scale"
    Applications are invited for a 1-year postdoctoral position at Institut Néel, in Grenoble, France, to start by January the 1st 2012.

    The main role of this position is study optical properties of nanostructure beyond the linear response regime. The goal of this project is to combine out of equilibrium many body theory with density functional theory, in such a way to create a predictive tools to analise and predict non-linear optics and out-equilibrium phenomenas.

    The project is funded by SMINGUE-FMN.
    The successful applicant will have a strong background in material science or solid state chemistry and physics. Experience in ab-initio calculations and knowledge of Green's functions methods would be advantageous.
    Applicants should have a Ph.D. in a relevant area of condensed matter physics or materials science.
    The closing date for applications is 30 October 2011.


    For further details and to apply, please contact: Claudio ATTACCALITE
    Email: claudio.attaccalite at cnrs email = grenoble.cnrs.fr
    Tel +33-4-76887460
    http://www.attaccalite.altervista.org/
  • 18/4/2011
  • 100 pubblications with YAMBO!!
  • The Yambo team is pleased to inform you that this month we reached the number of 100 articles made by use the Yambo code. We acknowledge all users and developers, and people helped us to make grow this project.
  • 06/4/2011
  • European Theoretical Spectroscopy Facility: software survey 2011
  • At the request of one important funding sources, a user survey is organized in the context of the European Theoretical Spectroscopy Facility. This survey targets several first-principles applications, forming the so-called "ETSF software suite", that includes : ABINIT, APE, DP, Elk, Exc, Exciting,FHI98PP, Octopus, V_Sim, YAMBO, see also the ETSF pages: ETSF codes and ETSF software repository. Your opinion about this service is valuable. We invite all the YAMBO users to spend two minutes (at most) of their time to fill the short form at http://www.etsf.eu/node/363, before April 20.
  • 19/1/2011
  • PRACE Preparatory Access call 8th November 2010: no closing dates
  • PRACE (Partnership for Advanced Computing in Europe) Research Infrastructure (RI) allows researchers from across Europe to apply for time on high-end high-performance computers via a peer review process. Preparatory access allows researchers to apply for code scalability testing and also support for code development and optimisation from PRACE RI members software experts. Preparatory access allows researchers to optimise their codes before responding to project calls. Preparatory access calls are rolling calls, researchers can apply for resources all year.
  • 2/11/2010
  • Nanoxcite2010 School pictures added
  • 17/10/2010
  • New release: Yambo 3.2.3 (rev11)
  • 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:

    • Calculations of quasi-particle life-times
    • Bethe-Salpeter equation beyond the Tamm-Dancoff approximation
    • GW beyond the plasmon-pole approximation (real-axis integration)
    • cube format output for wavefunctions (in ypp)
    • interface with libxc
    For more information on how to obtain the code visit the Download section.

  • 17/10/2010
  • New tutorials on-line
  • Following the recent important update of the GPL features new tutorials have been added! Now the GPL version of Yambo can perform real-axis GW calculations, electronic lifetimes, BSE and TDDFT beyonf the Tamm-Dancoff approximation. Visit the Tutorials page for more informations.

  • 29/9/2010
  • European Theoretical Spectroscopy Facility: new call for proposals
  • The Yambo team is pleased to inform you that the European Theoretical Spectroscopy Facility (ETSF) has opened a new Call for Proposals. Analogous with users of existing large experimental research infrastructures, such as synchrotron facilities, scientists from any other organisation, public- or private-sector, can propose projects for which, if they are accepted by the evaluation process, scientific and technical support will be provided by ETSF members. Experimentalists and theoreticians are now invited to submit a proposal. The call will close at Tuesday 26 October 2010, 17:00 CET. Information about ETSF and its expertise can be found on its web site.
  • 3/8/2010
  • HPC-Europe 2: call for proposals
  • The Yambo team is pleased to inform you that the HPC-Europe 2 has opened a new Call for Proposals. Next deadlines for submitting applications are: September 15th 2010 (27th Call), November 15th 2010 (28th Call). All the applications submitted from now on will be reviewed by the new selection panel and, if accepted, funded under the HPC-EUROPA2 Project. More information about HPC-Europe 2 project on their web site.
  • 26/7/2010
  • Hands-on Workshop annoucement: nanoexcite2010

  • SISSA and CNR-IOM-DEMOCRITOS are organizing a Hands-on Workshop on electronic excitations, nanoexcite2010. The Workshop will be held at SISSA (Trieste, Italy) in October 18th-22th, 2010. The Yambo code will participate to the Workshop with lectures given by several members of the Yambo Team, hands'on classes and tutorials. The school will be attended by a maximum of around 40 participants. The school is NOT meant to introduce the basic concepts of TDDFT and MBPT and applicants are required to have already a solid background in: DFT, TDDFT, MBPT (GW and BSE) and Solid state physics. For further informations and subscriptions please visit the web-page.

  • 9/7/2010
  • Note on revision numbering
  • Regular users of the Yambo repository will notice that the revision numbering has apparently been reset to 1: this coincides with the creation of a separate Yambo GPL source on QE-forge (see the forum announcement for details). The new repository contains the source files for the first official tarball releases (3.1.2 (r300), 3.2.0 (r315), and 3.2.1 (r448) are present as new revisions 1, 2, and 3), as well as newer commits. However, Yambo still internally makes use of the old revision numbering, as seen in the report files, e.g. new revision 4 outputs:

    # GPL Version 3.2.2 Revision 616
    Thus when reporting problems, make sure to quote the internal revision number!

  • 7/6/2010
  • Yambo GPL repository now on-line!
  • The Yambo repository and download page have been moved on the QE-Forge. QEforge is a web portal offering an integrated software development environment: CVS or SVN repository, mailing lists, public forums, download space, wiki pages and much more. QEforge is hosted and maintained by the Democritos National Research Center, in collaboration with SISSA eLab. The goal is to make QEforge a prime source of scientific software for scientists all over the world. More informations in the Download page.
  • 7/5/2010
  • Yambo: for all your high-quality publication needs!
  • The publication of Phys. Rev. Lett. 104, 226804 (2010) brings to 14 the number of articles using Yambo to appear in Phys. Rev. Letters, not to mention an Applied Physics Letters in 2010 and two Nano Letters in 2009. We are particularly happy to see papers gradually appearing from independent users, who have benefitted from our decision to release a GPL version of the code back in September 2008. With the User Forum growing in popularity, we sincerely hope this trend continues!
  • 10/02/2010
  • Yambo in the top 25
  • The Yambo paper is among the top 25 hottest articles of Computer Physics Communications for the July-September 2009 period.
  • 19/2/2010
  • HPC-Europe 2: call for proposals
  • The Yambo team is pleased to inform you that the HPC-Europe 2 has opened a new Call for Proposals. Next deadline for submitting applications is February 28, 2010. All the applications submitted from now on will be reviewed by the new selection panel and, if accepted, funded under the HPC-EUROPA2 Project. More information about HPC-Europe 2 project on their web site.
  • 19/2/2010
  • European Theoretical Spectroscopy Facility: new call for proposals
  • The Yambo team is pleased to inform you that the European Theoretical Spectroscopy Facility (ETSF) has opened a new Call for Proposals. Analogous with users of existing large experimental research infrastructures, such as synchrotron facilities, scientists from any other organisation, public- or private-sector, can propose projects for which, if they are accepted by the evaluation process, scientific and technical support will be provided by ETSF members. Experimentalists and theoreticians are now invited to submit a proposal. The call will close at 17:00 CET on Tuesday 21st April 2010. Information about ETSF and its expertise can be found on its web site.
  • November 2009
  • Yambo: a cover story!
  • The paper Ab initio electronic and optical spectra of free-base porphyrins: the role of electronic correlation by Maurizia Palummo, Conor Hogan, Francesco Sottile, Paolo Bagala', and Angel Rubio, was recently published in the Journal of Chemical Physics, where it made the front cover. It has been also identified on the list of Journal of Chemical Physics Top 20 Most Downloaded Articles in September 2009. In the paper, Yambo was used to apply the GW and BSE methods, traditionally used in physics applications, to a kind of system normally studied by quantum chemists by means of (the more computationally demanding) wavefunction-based approaches, namely, porphyrin molecules. Yambo yielded excitation spectra in good agreement with experimental data and with quantum chemical results, and thus offers chemists an alternative or complementary means for studying such kinds of isolated systems.

    Yambo on the JCP cover!

  • 14/11/2009
  • Several updates and changes
  • Added pictures and movies of the 2008 and 2006 Benasque schools (events), and more developers in the team page.

  • 11/11/2009
  • Lectures note page added.
  • Claudio Attaccalite has created a Lecture Notes page where it is possible to download free documents covering most of the basic concepts used in the Yambo code.

  • 7/10/2009
  • Yambo repository moved!
  • Important change in the access to the Yambo SVN repository: the Yambo SVN repository has been moved to a new server. Please check the download page for more informations.

  • 1/9/2009
  • SVN server problems.
  • Two weeks ago the server anomaly.roma2.infn.it had serious hardware problems and was shut down. The repository has been migrated to another temporary machine. We created a DNS alias in order to be able to access the repository still using the hold hostname (anomaly). Please report to yambo@yambo-code.org any problem in connecting to anomaly.

  • 24/7/2009
  • Yambo paper published !
  • The Yambo paper has been published on Computer Physics Communications. You can download the paper here. Remember to acknowledge Yambo in your papers by citing this article!

  • 7/7/2009
  • 3.2.1 (revision 448) released.
  • Important change in the access policy of the Yambo SVN repository: yambo is a member of the software tools supported by the European Theoretical Spectroscopy Facility (ETSF). The ETSF asked us to monitor the number of yambo users. While this is easy to do for the users that download the source directly from the yambo web-page there is not easy way to controll the accesses to the SVN respository. For this reason the SVN repository is now password protected. Of course the SVN repository will remain freely accessible, and anyone can have the password. To this end it is enough to send an E-mail to yambo@yambo-code.org asking for the access to the SVN repository.

  • 26/3/2009
  • Yambo talk at the 4th Abinit workshop
  • Andrea gave a general talk about Yambo at the the 4th Abinit workshop in Autrans (France). You can find the pdf in the events page.

  • 20/3/2009
  • Yambo forum is up!
  • We have just started the Yambo Forum. The success of the forum and of the yambo project is linked to the feedback we will receive from the users. So, users are invited to register and to participate to the discussions.

  • 11/3/2009
  • European Theoretical Spectroscopy Facility: new call for proposals
  • The Yambo team is pleased to inform you that the European Theoretical Spectroscopy Facility (ETSF) is publishing its fourth Call for Proposals. Experimentalists and theoreticians are now invited to submit a proposal. The call will close at 17:00 CET on Tuesday 7th April 2009. Information about ETSF and its expertise can be found on its web site.

  • 10/2/2009
  • Yambo paper published !
  • The Yambo paper has been accepted for publication on Computer Physics Communications. You can download the paper here. Remember to cite Yambo in you papers using this article !.

  • 1/9/2008
  • First GPL version 3.1.2 (revision 300) released.