ICTP2020: Difference between revisions

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* [[Bethe-Salpeter equation tutorial. Optical absorption (BN)]]
* [[Bethe-Salpeter equation tutorial. Optical absorption (BN)]]
=== Lectures ===
Here you will find a collection of lectures given by members of the Yambo team over the years.<br>
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]]
|-
|GW and ARPES
|}

Revision as of 08:12, 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

Lectures

Here you will find a collection of lectures given by members of the Yambo team over the years.

Click on the image to open the PDF in your browser.

Yambo
Yambo Technical Introduction.png Yambo Philosophy.png Yambo general intro.png Yambo Handbook.png Yambo Parallel Structure.png
Yambo Technical Introduction Yambo Philosophy Yambo general intro Yambo Handbook Yambo Parallel Structure
Linear Response
Linear Response.png Real time approach to the BSE.png
Linear Response Real time approach to the Bethe-Salpeter Equation
Many Body Perturbation Theory
Quantum Mechanics nutshell and Hartree-Fock.png Correlation and Diagrams.png
Quantum Mechanics nutshell and Hartree-Fock Correlation and Diagrams
GW
GW and ARPES.png
GW and ARPES
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