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