Program

MONDAY 29

14:00 WELCOME address Ph. Ghosez (3 mins)

14:03-15:30 SESSION 1 : Software engineering : build system and software analysis tools (Chair D.C. Allan)

Y. Pouillon   The build system of ABINIT 5  [30'+10']

T. Deutsch  + file Helping robustness of ABINIT code: Interfaces and abilint  [12+5]

S. Pesant   Graphical interface for the creation of input files for Abinit  [20+10]

• 15:30-16:00 Coffee break

• 16:00-18:00 SESSION 2 : Parallelism (Chair G.M. Rignanese)

S. Goedecker   Efficient parallelization of multiple 3-dim FFT's  [20+10]

F. Bottin   Band FFT parallelisation of Abinit  [20+10]

T. Hoefler   Optimization of a parallel 3D-FFT with non-blocking collective operations  [20+10]

P. Plaenitz   Enhancing Parallelizing Capabilities of ABINIT  [20+10]

• 18:45-… POSTERS (with food & drinks)

TUESDAY 30

• 9:00-9:50 SESSION 3 : Software engineering : file formats (Chair M. Mikami)

V. Olevano Specifications for the Nanoquanta-ETSF NetCDF file format  [20+10]

D. Caliste  ETSF_IO, a new library to access electronic structure calculation files  [15+5]

• 9:50-10:20  Coffee break

• 10:20-12:00 SESSION 4 : PAW (Chair G. Zerah)

F. Jollet Implementation of PAW in ABINIT and PAW atomic data file generation   [20+10]

M. Torrent   Implementation of the linear response in PAW  [20+10]

B. Amadon   LDA+U method in PAW  [15+5]

S. Mazevet  Electrical conductivity calculations within the PAW formalism  [15+5]

• 12:00-14:15 Lunch

• 15:15-15:50 SESSION 5 : Speed-up (Chair S. Goedecker)

P.M. Anglade   SCF Preconditioners within Abinit  [20+10]

M. Torrent   Several aspects of the SC cycle mixing in Abinit  [20+10]

D. Caliste  & L. Genovese  Introducing wavelet basis sets inside ABINIT via the BigDFT project  [25+10]

• 15:50-16:15 Coffee break
• 16:15-18:00 SESSION 6 : Advanced use of ABINIT (Chair Ph. Ghosez)

M. Mikami   Virtual Crystal Approximation for Heterovalent Ions   [20+10]

J. Zwanziger  Zero Stress Optic Glass without Lead   [20+5]

D. Sangalli   Implementation and applications of Casida TDDFT approach
to electronic excitations, for spin-polarized collinear systems  [10+5]

R. Caracas   Elastic and spectroscopic properties of Earth and planetary materials  [15+5]

• 18:00-19:00 Discussions

• 19:15  Conference Dinner

WEDNESDAY 31

• 9:00-9:50 SESSION 7 : Electron-phonon interaction (Chair M. Coté)

M. Verstraete   The electron-phonon coupling in ABINIT  [20+10]

M. Giantomassi   Electron-phonon calculations with ABINIT  [15+5]

• 9:50-10:20 Coffee break

• 10:20-12:10 SESSION 8 : Phonons, electric field and Wannier functions  (Chair D. Hamann)

 X. Wang   Perturbation treatment of response properties of insulators
in finite electric fields  [20+10]

P. Hermet   First-principles modelling of experimental phonon spectra  [15+5]

J. Battacharjee   Bonding and polarization analysis using localized orbitals  [20+10]

• 12:10-14:00 Lunch
• 14:00-15:30 SESSION 9 : GW (Chair L Reining)

 F. Bruneval   Self-Consistent GW Electronic Structure of Solids  [20+10]

 R. Shaltaf   Speeding up the GW code : Parallelism + PPM models  [20+10]

 M. Giantomassi   The GW code of ABINIT: present status, new features and future developments  [20+10]

• 15:30-16:00 Coffee break
• 16:00-17:30 Discussions (chair : G. Zerah & M. Coté)

• 17:30 Closing remarks (X. Gonze)