WAM 2015 June 25-27 Aveiro, Portugal

 WELCOME 

It is our distinct pleasure to invite you to be a part of the 2nd WHOLE ACTION MEETING 2015! The WAM 2015 will be held June 25-27, at the University of Aveiro, Portugal.

 The University of Aveiro (UA) was founded in 1973, starting a new generation of learning  institutions and quickly becoming one of the most dynamic and ground-breaking University in  Portugal. UA with around 15.000 undergraduate and postgraduate students developed a strong  tradition of science and technology research. With a growing reputation aims to generate and expand knowledge benefiting people and society through research of excellency, teaching and Industry cooperation. UA plays a significant role in the Portuguese individual and global education within the European research and learning model also aiming the region development.

SCIENTIFIC PROGRAM

 

 


TRAVELLING

  • Flying to Porto Airport (Aeroporto Porto)

    http://www.ana.pt/en-US/Aeroportos/porto/Porto/Pages/Homepage-Porto.aspx

    Then you will have to take the underground METRO Linha E (Linha Violeta-Line Violet) direction Estádio do Dragão and get off at CAMPANHÃ (it takes about 30 minutes to the train station PORTO CAMPANHÃ);
    http://www.metrodoporto.pt/en/

    At the Porto Campanhã train station , you will have to buy the train ticket to Aveiro train station and the journey time depends on the type of train:

    U (Urbano-Urban) direction Aveiro, takes around an hour;
    IC (Intercidades-Intercities) direction Lisboa, takes around 40 minutes;
    AP (Alfa Pendular – Alpha Pendular) direction Lisboa, takes around 30 minutes.
    https://www.cp.pt/passageiros/en/

    When arriving to the AVEIRO Train Station
    http://www.cp.pt/passageiros/en/train-times/Stations/aveiro
    you will need to go down the stairs, exit the station and then you can walk to the Hotel. Public transportation in Aveiro is for longer distances and nearly unnecessary because most things are within walking distance. It will take you the maximum of 20-30 minutes walking. There are always some taxis, if needed.

  • Flying to Lisbon Airport (Aeroporto Lisboa)

    http://www.ana.pt/en-US/Aeroportos/lisboa/Lisboa/Pages/HomeLisboa.aspx

    Then you will have to take the underground METRO Linha Vermelha (Red Line) direction S. Sebastião and get off at ORIENTE (it takes around 5-7 minutes to the Train Station ORIENTE; http://metro.transporteslisboa.pt/eng/
    or the Bus
    N.º 705: Est. do Oriente – Aeroporto – Est. Roma/Areeiro (work days only).
    http://carris.transporteslisboa.pt/en/home/

    At the ORIENTE train station, you will have to buy the train ticket to Aveiro train station and the journey time depends on the type of train:

    IC (Intercidades-Intercities) direction PORTO/BRAGA/GUIMARÃES, takes around 2h20m;
    AP (Alfa Pendular – Alpha Pendular) direction PORTO/BRAGA/GUIMARÃES, takes around 2h10m.
    https://www.cp.pt/passageiros/en/

    Once you have arrived at AVEIRO, you can exit directly the station and then you can walk to the Hotel. Public transportation in Aveiro is for longer distances and nearly unnecessary because most things are within walking distance. It will take you the maximum of 20-30 minutes walking. There are always some taxis, if needed.


     

ACCOMMODATION
After many efforts, unfortunately we were not able to place everyone in the same hotel since the city is a tourist site, specially at this time of the year. We do apologise for that!

Therefore, you will have to make your own arrangements for accommodation. Please, find a list of suitable Hotels at the city centre, within walking distance to the University:

- Hotel Aveiro PalaceRua Viana do Castelo nº 4, 3800-275 Aveiro; Tlf: +351 234421885
                                   http://www.hotelaveiropalace.com/en/hotel-overview.html 

- Hotel MoliceiroR. Dr. Barbosa de Magalhães 15, 3800-154 Aveiro; Tlf: +351 234377400
                             http://www.hotelmoliceiro.pt/ 

- Veneza HotelR. Luis G. Carvalho 23, 3800-211 Aveiro; Tlf: +351 234404400
                          http://www.venezahotel.pt/en 

- Melia Ria Hotel & SPACais da Fonte Nova, lote 5, 3810-260, Aveiro; Tlf: +351 234401000
                                        http://www.meliaria.com/en-gb/home-4.aspx 

Hotel das Salinas - R. da Liberdade 10, 3810-126, Aveiro; Tlf: +351 234404190                                                         http://www.hoteldassalinas.pt/en

 Hotel Imperial - R. Dr. Nascimento Leitão 1, 3810-108, Aveiro; Tlf: +351 234380150                                              http://www.hotelimperial.pt/en/

Please, follow the link below to find directions from the TRAIN STATION to your HOTEL:
https://www.dropbox.com/sh/hbzzad5o3fge72t/AADYPOL0bGyqdrIws3_Tbmwna?dl=0 


 

ASSORTED

  • Getting to the CAMPUS

          Please, follow the link below to find directions from your HOTEL to the CAMPUS:
          https://www.dropbox.com/sh/zh98pscwlpl6gtk/AACsqOzSXr8F-PXIMzuxUZQCa?dl=0 

  • UA CAMPUS

          Please, follow the link below to find CAMPUS MAP:
          https://www.dropbox.com/sh/ope8htg2nr98fp0/AACn6TKvnVu7KqHgq8-0JcKya?dl=0 

  • AVEIRO

          http://www.aveiro.co.pt/
 
         http://www.visitcentrodeportugal.com.pt/ 
          https://en.wikipedia.org/wiki/Aveiro,_Portugal 


          Please, follow the link below to find AVEIRO MAPS:
          https://www.dropbox.com/sh/bkykfcwtve1wfdq/AAAmTb5mQ95iXQrxT7v-6Wdta?dl=0 
 


Dates

25th-27th June 2015

Location
Universidade de Aveiro
Campus Universitário de Santiago

3810-193 Aveiro, Portugal
Telephone: (+351) 234 370 200
Fax: (+351) 234 370 985
www.ua.pt

Contact
Ana Violeta Girão
Dpt Química
Campus Universitário de Santiago

3810-193 Aveiro, Portugal
This email address is being protected from spambots. You need JavaScript enabled to view it. 

 

Code Database

EUSpec members are working on a wide variety of software. The following list gives an overview and with it's search and filter function it can also be used to find the right code for a specific task.

Name Author Calculation Modes Spectroscopy OS GUI License and Price
3D-WKB-STM
www.phy.bme.hu/~palotas/
Krisztián Palotás, Gabor Mandi STM, STS, 3D current & dI/dV maps, 2D constant height maps, 2D constant current maps, 1D line scans, single point dI/dV spectra, orbital-dependence / independence, arbitrary tip geometrical orientation, local work function-dependence, spin-polarization, arbitrary tip magnetization orientation, non-collinear magnetic surfaces scanning tunneling spectroscopy (STS) Linux, (Windows) only for results license in progress, free
Abinit
abinit.org
Xavier Gonze et al Plane Waves, PAW, pseudopotentials, non-collinear magnetism, TDDFT (Casida), GW, BSE, LDA+U, molecular dynamics optical absorption, photo-emission, LEED, XAS, XES, NRIXS, RIXS, Raman, resonant Raman, ARPES, inverse ARPES, EELS, positron lifetime, electronic stopping power Unix, Linux, MacOSX, Windows AbinitGUI, Abipy, V_Sim GPL v3, free
BSKAN
www.staff.ncl.ac.uk/werner.hofer/
www.phy.bme.hu/~palotas/
Werner Hofer, Krisztian Palotas STM & STS (theories: Tersoff-Hamann, Chen's derivative rule, Bardeen, multiple scattering), spin-polarization, arbitrary tip geometrical orientation (Chen), tip-orbital interference (Chen) scanning tunneling spectroscopy (STS) Linux only for results open source, free
CTM4XAS
anorg.chem.uu.nl/CTM4XAS/
Eli Stavitski, Frank de Groot Charge transfer multiplet code XAS, EELS, XPS, XES, RIXS Windows Yes free
ElSA
sites.google.com/site/elsaspectroscopy
R. Ovcharenko, E. Voloshina, Yu. S. Dedkov initial and final state approximations as well as the Mahan-Noziere's-De Dominicis (MND) approach; post-VASP tool NEXAFS, XES Unix, Linux, MacOSX no creative commons by-nc-nd 4.0
free
exciting
exciting-code.org/
Claudia Draxl & exciting development team all-electron full potential method; (L)APW+lo basis; DFT, magnetism, spin-orbit coupling, phonons, elastic properties, TDDFT, many-body perturbation theory (GW, BSE) TDDFT (linear-response regime), GW, Bethe-Salpeter equation (BSE), core-level excitations including electron-hole correlations, resonant Raman spectroscopy, electron loss spectroscopy, STM Linux open access, GPL
FDMNES
neel.cnrs.fr/fdmnes
Yves Joly, Oana Bunau full potential, finite difference method, multiple scattering theory, DFT, TD-DFT, LSDA+U XANES, XMCD, RXS Windows, Linux no free
GNXAS gnxas.unicam.it A. Filipponi, A. Di Cicco multiple-scattering with optical complex ED potentials, continued-fraction expansion, n-body expansion. Features: crystalline, molecular, disordered structures, full statistical analysis using non-linear fitting of raw experimental data EXAFS Linux, Unix, VMS, Mac, Windows gnuplot, topdrawer free usage for non-profit research
GPAW
wiki.fysik.dtu.dk/gpaw
the GPAW development team DFT and TDDFT using LDA, LDA+U, GGAs, EXX/hybrids, GLLB, Plane wave, LCAO, PAW, norm-conserving pseudopotentials Photoabsorption spectra from (LR)TDDFT Dielectric response for EELS, XAS Unix, Linux, MacOSX ASE (limited) GPL v3, free
MsSpec
ipr.univ-rennes1.fr/msspec
D. Sébilleau, C. R. Natoli et al Multiple scattering PED, XAS, LEED, AED, APECS Unix, Linux, MacOS Zenity free
Octopus
tddft.org/programs/octopus
Xavier Andrade et al Ground state DFT, TDDFT, pseudopotentials Unix, Linux no GPL v2, free
ONETEP
onetep.org
J. Dziedzic, P. D. Haynes, N. D. M. Hine et al Linear-Scaling DFT, Linear-Response TDDFT, DFT+U, DMFT, ballistic transport, implicit solvent, PAW Optics, EELS, XAS, IR, phonons Unix / Linux Materials Studio 500 GBP (group),
free for collaborators
ORCA
orcaforum.cec.mpg.de
Frank Neese et al all forms of modern DFT, gaussian basis set, Hartree-Fock, Coupled cluster, CASSCF, linear scaling methods, ROCIS X-ray absorption (K- L-, M-edges) and emission, RIXS, Mössbauer, NRVS, UV/vis, Fluorescence, Raman, resonance Raman, IR, EPR, NMR Unix, Linux, Mac OSX, Windows gabedit, Chemcraft, Avogadro free for academics
quantum ESPRESSO
quantum-espresso.org/
S. Baroni et al plane-waves, pseudopotentials, LDA+U, linear response, electron-phonon coupling, TDDFPT, GW, Bethe-Salpeter Equation, non-linear magnetism, GIPAW, Car-Parrinello molecular dynamics, Born-Oppenheimer molecular dynamics, Nudged Elastic Band EPR, NMR, optical absorption, XAS, EELS, photo-emission, IR, Raman Unix, Linux, MacOS, Windows yes GPL, free
Quanty
solstatphys.org
Maurits W. Haverkort Post DFT or Hartree-Fock (CI, CC, DMFT, SCF, RAS, ...) ESR, INS, XAS, cPES, RIXS, nIXS, Optics, PES, ARPES Linux, Mac no registration, free of charge
SPRKKR
ebert.cup.uni-muenchen.de
Hubert Ebert et al Multipe Scattering, fully relativistic, full potential, CPA, surfaces, embedded clusters, disordered alloys x-ray (absorption, emission, magneto-optics, scattering), magnetic Compton scattering, valence band photoemission, core level photoemission, Auger electron spectroscopy Linux xband SPRKKR license, free of charge
WIEN2k
wien2k.at
P. Blaha, K. Schwarz et al. all-electron full-potential APW+lo, LDA, various GGAs and meta-GGAs (TB-mBJ), GGA+U, hybrid-DFT, GW, BSE ARPES, XANES, XES, EELS, UV-vis, IR, Raman, NMR, Mössbauer Linux w2web 400€ for academia
XCrySDen
www.xcrysden.org
Anton Kokalj crystalline and molecular structure visualisation, contour plots, isosurface plots, k-space analysis n/a Linux, MacOS, (Windows) this is a GUI GPLv2, free

 

Is your code missing in this list?
If you are developing spectroscopy software and want your software added to this list, please contact the site administrator at This email address is being protected from spambots. You need JavaScript enabled to view it.

Psi-K conference 2015 announced

The Psi-k  Conference, organized every five years, is the leading event for the research community active in electronic structure and properties of condensed matter. Psi-k 2015 will be organized during September 6-10, 2015 in San Sebastian, Spain, under the chairmanship of Angel Rubio.

The scientific programme of Psi-k 2015 will consist of plenary lectures and up to 25 topical symposia, with more than 160 invited talks. We expect around 1000 participants from around the world.

The conference website is now open at 

http://nano-bio.ehu.es/psik2015/index.html

The EUSpec community will contribute to Thursday's Session S5 Theoretical Spectroscopy.

STSM

NEW Call for STSM Applications for missions occurring between 10/12/2016 and 15/03/2017.

A flyer for posting in your institution is aviable: 

STSM-Flyer.pdf

 
Purpose of a STSM

STSM are aimed at strengthening existing networks and fostering collaborations by allowing Researchers participating in a given COST Action to visit an institution or laboratory in another Participating COST Country / an approved Near Neighbour Country institution or an approved International Partner Country institution. A STSM should specifically contribute to the overall scientific objectives of the COST Action, whilst at the same time enable Researchers to learn new techniques or gain access to specific expertise, instruments and/or methods not available in their own institutions. 

 

For more information on applying for a STSM, please download and read
STSM-infos.pdf

 

AIMIS 15 Hands On Course Pilsen 2015

Introduction to the application of ab-initio method in spectroscopy


NTC UWB Pilsen, Czech Republic,

February 23 - 26 2015

 

The aim of the course is to introduce theoreticians as well as experimentalists to bandstructure methods and their use in calculating various electronic and spectroscopic properties of solids with strong electronic correlations. Especially the calculations of angle resolved photoemission spectroscopy (ARPES), magneto optical properties and X-ray absorption will be the focus of this course. An introduction to several program packages developed by participants of the COST action will be offered together with practical exercises.

AIMIS15 will cover three different approaches:

 

Ab-init with emphasis to GW and optics

SPR-KKR with emphasis to DMFT and ARPES

Multiplet approach with emphasis to XAS and Core level PES

Accordingly, there will be lectures dealing with the formal background and technical details of these methods. Emphasis will be put on a description of correlation effects (GW, DMFT, multiplet approaches) supplying the basis for a treatment of various effects in spectroscopy. Six specialized hands-on-sessions will be devoted to learning these methods including their graphical user interface. Last day, we plan an opened session to allow all participants to directly perform calculations of their interests and to have ample time for discussions with all tutors.

More information available on the official AIMIS15 website

Invited Speakers (to be confirmed):

Jürgen Braun Uni Munich, Germany
Hubert Ebert Uni Munich, Germany
Maurits Haverkort MPI, Germany
Martin Lüders Daresbury Laboratory, UK
Gian-Marco Rignanese UCL, Belgium