Difference between revisions of "ICTP2020"

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(Thursday 30 Jan HANDS-ON 4)
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'''14:00 - 15:00 Real-time approach and Calculation of linear response functions and optical properties''' Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)
 
'''14:00 - 15:00 Real-time approach and Calculation of linear response functions and optical properties''' Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)
  
* [[Real time approach to linear response (TDSE)]]
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* [[Real time approach to linear response ]]
* [[Real time Bethe-Salpeter Equation (TDSE)]]
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* [[Real time Bethe-Salpeter Equation]]
  
 
'''15:30 - 18:00 Real time approach and Calculation of non linear properties (second harmonic generation) ''' Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)
 
'''15:30 - 18:00 Real time approach and Calculation of non linear properties (second harmonic generation) ''' Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)

Revision as of 17:07, 16 January 2020

Plan for the ICTP 2020 school tutorials

Tutorial files

All tutorials require download of the following pre-prepared Yambo databases or DFT input files:
DAY 1-2-3. hBN-3D and hBN-2D hBN.tar.gz (237 MB) hBN-2D.tar.gz (8.6 MB)
DAY 3. hBN-2D with higher convergence parameters for parallel tutorials: hBN-2D-para.tar.gz (137 MB)
DAY 4. hBN-2D and AlAs for real time simulations hBN-2D-RT.tar.gz (10 MB) AlAs-RT.tar.gz (10 MB)

After downloading the tar.gz files just unpack them in the same folder:

$ tar -xcvf hBN-2D.tar
$ tar -xcvf hBN.tar
$ ls
  YAMBO_TUTORIALS
$ ls YAMBO_TUTORIALS
  hBN-2D hBN

Monday 27 Jan HANDS-ON 1

14:40 - 17:00 From the DFT ground state to the complete setup of a Many Body calculation using Yambo Davide Sangalli (CNR-ISM, Italy), Pedro Melo (University of Liege, Belgium)

Tuesday 28 Jan HANDS-ON 2

14:00 - 18:00 A complete tour through GW simulation in a complex material (from the blackboard to numerical computation: convergence, algorithms, parallel usage) Daniele Varsano (CNR-NANO, Italy), Andrea Ferretti (CNR-NANO, Italy)

16:30 - 18:00 A complete tour through GW simulation in a complex material (from the blackboard to the computer settings: convergence, algorithms, parallel usage) (continued) Daniele Varsano (CNR-NANO, Italy), Andrea Ferretti (CNR-NANO, Italy)

  • Parallel GW: strategies for running Yambo in parallel
  • GW convergence: use Yambo in parallel to converge a GW calculation for a layer of hBN (hBN-2D)

Link to old CECAM specific cases: GW_parallel_strategies_CECAM and Pushing_convergence_in_parallel_CECAM

Wednesday 29 Jan HANDS-ON 3

14:00 - 16:00 A guided tour through calculations of spectroscopic properties using the BSE approach Daniele Varsano (CNR-NANO, Italy), Maurizia Palummo (University of Rome Tor Vergata, Italy)

16:30 - 18:00 Many-body effects in 2D materials: convergences, spin orbit effect, exciton characterizations Maurizia Palummo (University of Rome Tor Vergata, Italy), Attaccalite Claudio (CNRS, CINAM, Aix-Marseille Univ., France)

Thursday 30 Jan HANDS-ON 4

14:00 - 15:00 Real-time approach and Calculation of linear response functions and optical properties Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)

15:30 - 18:00 Real time approach and Calculation of non linear properties (second harmonic generation) Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)

Friday 31 Jan HANDS-ON 5

09:00 - 10:30 Python scripting tools for accelerated GW convergence Fulvio Paleari (CNR-ISM, Italy), Alejandro Molina-Sanchez (IINL, Portugal)

10:30 - 11:30 Python scripting tools for BSE convergence and analysis Fulvio Paleari (CNR-ISM, Italy), Pedro Melo