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Material

Advanced Quantum ESPRESSO Developer Training | (smr 2643)
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  • Monday, 9 December 2013
    • 08:30 - 09:00 Registration
      Location: Adriatico Guest House (Lower Level 1)
      • 08:30 Registration 30'
    • 09:00 - 12:30 Quantum Espresso Hack Session [1]: Overview of code and project, SVN, Parallelization
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session [1]: Overview of code and project, SVN, Parallelization 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[2]: NMR Theory in general, GIPAW Theory, Converse theory
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[2]: NMR Theory in general, GIPAW Theory, Converse theory 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Tuesday, 10 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[3]: Equations and implementation of GIPAW
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[3]: Equations and implementation of GIPAW 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[4]: Equations and implementation of GIPAW
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[4]: Equations and implementation of GIPAW 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Wednesday, 11 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[5]: Converse Approach, Recap of Theory, Redo input
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[5]: Converse Approach, Recap of Theory, Redo input 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[6]: Initialize parameters, Add the new terms to Hamiltonian
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[6]: Initialize parameters, Add the new terms to Hamiltonian 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Thursday, 12 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[7]: Calculate orbital magnetization
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[7]: Calculate orbital magnetization 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[8]: Calculate chemical shift
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[8]: Calculate chemical shift 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Friday, 13 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[9]: Implementation testing
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[9]: Implementation testing 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[10]: Implementation testing
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[10]: Implementation testing 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Sunday, 15 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[11]: Post-hack progress analysis
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[11]: Post-hack progress analysis 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[12]: Discussion , Q&A, QE SVN update/merge, Manuscript
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[12]: Discussion , Q&A, QE SVN update/merge, Manuscript 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Monday, 16 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[13]: J coupling Theory and equations walkthrough
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[13]: J coupling Theory and equations walkthrough 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[14]: J coupling Theory and equations walkthrough
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[14]: J coupling Theory and equations walkthrough 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Tuesday, 17 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[15]: Ab initio J coupling
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[15]: Ab initio J coupling 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[16]: Implementation of Linear Response Terms
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[16]: Implementation of Linear Response Terms 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Wednesday, 18 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[17]:Implementation of LR Terms and Testing
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[17]:Implementation of LR Terms and Testing 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[18]: Implementation of LR Terms and Testing
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[18]: Implementation of LR Terms and Testing 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
  • Thursday, 19 December 2013
    • 09:00 - 12:30 Quantum Espresso Hack Session[19]: Post-hack progress analysis
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 09:00 Quantum Espresso Hack Session[19]: Post-hack progress analysis 3h30'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos
    • 12:30 - 14:00 LUNCH BREAK
      Location:
      • 12:30 LUNCH BREAK 1h30'
    • 14:00 - 18:00 Quantum Espresso Hack Session[20]: Discussion , Q&A, QE SVN update/merge, Manuscript
      Location: Adriatico Guest House Lundqvist Lecture Hall
      • 14:00 Quantum Espresso Hack Session[20]: Discussion , Q&A, QE SVN update/merge, Manuscript 4h0'
        Speaker: S.M. De Gironcoli, P.Giannozzi, E.Kucukbenli, L.Martin-Samos