Pdf with abstracts can be downloaded here.
Youtube playlist is accessible here.
| Monday 20th May 2019 | ||
| 10.30 | Welcome | |
| Welcome/ABINIT development (15 minutes presentation + 5 minutes discussion) - Chairperson : X. Gonze | ||
| 11.00 | Welcome | X. Gonze |
| 11.05 | Overview of ABINIT development | A. Romero |
| 11.20 | Abimkdocs: the new infrastructure for writing ABINIT documentation and tutorials (online slides) | M. Giantomassi |
| 11.40 | The test farm and its evolution (pdf) | J.-M. Beuken |
| 12.00 | A new test system for Abinit, bottom-up approach on structured data (pdf) | T. Cavignac |
| 12.20 | Discussion : Focus on test system and test farm | |
| 12.40 | Lunch | |
| ABINIT development (15 minutes presentation + 5 minutes discussion) - Chairperson : M. Torrent | ||
| 14.00 | Abipy - An overview (slides) | M. Giantomassi |
| 14.20 | Reducing technical debt and complexity by promoting collaborations (pdf) | Y. Pouillon |
| 14.40 | Discussion : Focus on the build system | |
| 15.00 | Coffee Break | |
| DFPT (I) (15 minutes presentation + 5 minutes discussion) - Chairperson : D. Hamann | ||
| 15.30 | Ab-initio computation of Raman spectra within the DFPT+PAW(+U) formalism (pdf) | L. Baguet |
| 15.50 | First-principles theory of spatial dispersion effects (pdf) | M. Stengel |
| 16.10 | Current density at finite q for clamped-ion flexoelectricity (pdf) | C. Dreyer |
| 16.30 | Spatial dispersion properties from DFPT: Dynamical quadrupoles and flexoelectric tensor (pdf) | M. Royo |
| 16.50 | Break | |
| Flash presentations (max. 4 slides, 8 minutes presentation + 2 minutes discussion) - Chairperson : V. Blum | ||
| 17.20 | Implementation of the LDA-1/2 method in ABINIT (pdf) | F. Jollet |
| 17.30 | A unified modelization from condensed matter to plasmas (pdf) | A. Blanchet |
| 17.40 | Calculation of effective interaction among different electronic shell using cRPA in ABINIT (pdf) | R. Outerovich |
| 17.50 | New implementation of Chebishev filtering inside ABINIT (pdf) | B. Sataric |
| 18.00 | Implementing the relaxed core PAW method into ABINIT (pdf) | N. Brouwer |
| 18.10 | Speeding up the ground-state Hamiltonian application in real space (pdf) | M. Torrent |
| 18.20 | News on (q)Agate | J. Bieder |
| 19.30 | Meeting of the ABINIT advisory committee (Loungeatude restaurant) | |
| Wednesday 22nd May 2019 | ||
| Improving ABINIT : discussion / round tables in small groups | ||
| 8.30 | Initialisation | |
| 8.40 | Discussions (round tables in small groups) | |
| 10.30 | Break | |
| Improving ABINIT: discussion / global | ||
| 11.00 | Global discussion | |
| 12.30 | Lunch + Poster session (V. Brousseau-Couture; O. Gingras; W. Lafargue-dit-Hauret; F. Ricci) | |
| High-Throughput with ABINIT (15 minutes presentation + 5 minutes discussion) - Chairperson : G.-M. Rignanese | ||
| 14.00 | Why the hell did you not use VASP?” Pros and cons of ABINIT in the high-throughput world | G. Hautier |
| 14.20 | Technical aspects related to high-throughput calculations with ABINIT (online slides) | M. Giantomassi |
| 14.40 | Updates on high-throughput DFPT (pdf) | G. Petretto |
| 15.00 | High-throughput study of non-linear optical materials | F. Naccarato |
| 15.20 | Discussion : strategic high-throughput evolution of ABINIT | |
| 16.00 | Coffee | |
| Libraries + Industry (15 minutes presentation + 5 minutes discussion) - Chairperson : M. Torrent | ||
| 16.30 | Infrastructure developments for electronic structure codes in ELSI (pdf) | V. Blum |
| 16.50 | Prediction and discovery of topological materials: Wannier charge centers and Z2PACK package (pdf) | A. Soluyanov |
| 17.10 | Interfacing abinit with external libraries or packages: electronic structure analysis and molecular dynamics (pdf) | A. Romero |
| 17.30 | Ab initio in nanoelectronics industry | M. Van Setten |
| 17.50 | Discussion : ABINIT evolution with partner projects | |
| 19.00 | Social dinner | |