ICTP2020: Difference between revisions

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* [[Bethe-Salpeter equation tutorial. Optical absorption (BN)]]
* [[Bethe-Salpeter equation tutorial. Optical absorption (BN)]]
=== Lectures ===
Click on the image to open the PDF in your browser.
{| class="wikitable" style="text-align: center;
|colspan="5"|''' Yambo'''
|-
|[[File:Yambo_Technical_Introduction.png|200px|link=http://www.yambo-code.org/educational/lectures/Yambo_Technical_Introduction.pdf]]
|[[File:Yambo_Philosophy.png|200px|link=http://www.yambo-code.org/educational/lectures/Yambo_Philosophy.pdf]]
|[[File:Yambo_general_intro.png|200px|link=http://www.yambo-code.org/educational/lectures/Yambo_general_intro.pdf]]
|[[File:Yambo_Handbook.png|200px|link=http://www.yambo-code.org/educational/lectures/Yambo_Handbook.pdf]]
|[[File:Yambo_Parallel_Structure.png|200px|link=http://www.yambo-code.org/educational/lectures/Yambo_Parallel_Structure.pdf]]
|-
|Yambo Technical Introduction
|Yambo Philosophy
|Yambo general intro
|Yambo Handbook
|Yambo Parallel Structure
|}
{| class="wikitable" style="text-align: center;
|colspan="3"|''' Linear Response'''
|-
|[[File:Linear_Response.png|200px|link=http://www.yambo-code.org/educational/lectures/Linear_Response.pdf]]
|[[File:Real_time_approach_to_the_BSE.png|200px|link=http://www.yambo-code.org/educational/lectures/Real_time_approach_to_the_BSE.pdf]]
|-
|Linear Response
|Real time approach to the Bethe-Salpeter Equation
|}
{| class="wikitable" style="text-align: center;
|colspan="2"|''' Many Body Perturbation Theory'''
|-
|[[File:Quantum_Mechanics_nutshell_and_Hartree-Fock.png|200px|link=http://www.yambo-code.org/educational/lectures/Quantum_Mechanics_nutshell_and_Hartree-Fock.pdf]]
|[[File:Correlation_and_Diagrams.png|200px|link=http://www.yambo-code.org/educational/lectures/Correlation_and_Diagrams.pdf]]
|-
|Quantum Mechanics nutshell and Hartree-Fock
|Correlation and Diagrams
|}
{| class="wikitable" style="text-align: center;
|colspan="4"|''' GW'''
|-
|[[File:GW_and_ARPES.png|200px|link=http://www.yambo-code.org/educational/lectures/GW_and_ARPES.pdf]]
|[[File:Heuristic_GW.png|200px|link=http://www.yambo-code.org/educational/lectures/Heuristic_GW.pdf]]
|-
|GW and ARPES
|Heuristic GW
|}

Revision as of 08:29, 29 January 2020

Plan for the ICTP 2020 school tutorials

Setting up the Yambo Quantum Machine

The tutorials will be run on a dedicated Quantum Machine. This is run by installing it as Virtual Machine with the VirtualBox program.

  • VirtualBox is installed on your PC. To find it open a terminal and
>which virtualbox
/usr/bin/virtualbox
  • The Yambo Quantum Machine image (.ova file) is already in the /scratch
>cd /scratch
>/scratch$ ls
(...) YAMBO_Quantum_Mobile.ova

Now follow exactly the instructions to


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, 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

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