ICTP 2022: Difference between revisions
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A general description of the goal(s) of the school can be found on the [https://indico.ictp.it/event/9780/overview ICTP website] and | |||
on the [https://www.yambo-code.org/2022/02/17/1215 Yambo main website]. | |||
== Setting up the Environment == | == Setting up the Environment == | ||
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* Option 3.i: Install [[Yambo via Docker|Yambo via Docker]] (requirements??) | * Option 3.i: Install [[Yambo via Docker|Yambo via Docker]] (requirements??) | ||
* Option 4.i: [[download|Download]] and [[Installation|install]] yambo on your laptop / desktop (requires a linux machine). | * Option 4.i: [[download|Download]] and [[Installation|install]] yambo on your laptop / desktop (requires a linux machine). | ||
* Option 5.i: Install yambo on your laptop/desktop/cluster [https://github.com/nicspalla/my-repo via Spack]. | |||
and independently (ii) | and independently (ii) | ||
* Options 3-4.ii: download the tutorial files | * Options 3-4-5.ii: download the tutorial files following the [[Tutorials|instructions here]] | ||
* Options 3-4-5.iii: here the instruction to install [[Yambopy via conda|Yambopy via conda]] | |||
== Tutorials == | == Tutorials == | ||
=== Monday 04 Apr === | === Monday 04 Apr === | ||
'''14: | '''14:40 - 18:00 From the DFT ground state to the complete setup of a Many Body calculation using Yambo''', Davide Sangalli (CNR-ISM, Italy), Pedro Melo (Utrecht University, the Netherlands) | ||
<!-- * [[First steps: a walk through from DFT to optical properties]] (modular) --> | <!-- * [[First steps: a walk through from DFT to optical properties]] (modular) --> | ||
<!-- * [[First steps: walk through from DFT to RPA (standalone)]] --> | <!-- * [[First steps: walk through from DFT to RPA (standalone)]] --> | ||
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=== Tuesday 05 Apr === | === Tuesday 05 Apr === | ||
''' | '''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), Alberto Guandalini (CNR-NANO, Italy) | ||
* [[GW hBN Yambo Virtual 2021 version|How to obtain the quasi-particle band structure of a bulk material: h-BN]] | * [[GW hBN Yambo Virtual 2021 version|How to obtain the quasi-particle band structure of a bulk material: h-BN]] | ||
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=== Wednesday 06 Apr === | === Wednesday 06 Apr === | ||
''' | '''14:00 - 18:00: Analysis of excitonic spectra, BSE solvers and convergence''' Fulvio Paleari (CNR-NANO, Italy), Davide Sangalli (CNR-ISM, Italy), Maurizia Palummo (Università di Roma Tor Vergata, Italy) | ||
* [[BSE hBN Yambo Virtual 2021 version|How to obtain an optical spectrum]] | * [[BSE hBN Yambo Virtual 2021 version|How to obtain an optical spectrum]] | ||
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=== Thursday 07 Apr === | === Thursday 07 Apr === | ||
'''14:00 - 18:00: Electron-phonon coupling in the Yambo code''' Andrea Marini (CNR-ISM, Italy), Claudio Attaccalite (Université de Marseille, France) | |||
* [https://www.yambo-code.org/wiki/index.php?title=Electron_Phonon_Coupling Electron Phonon Coupling] | |||
* [https://www.yambo-code.org/wiki/index.php?title=Optical_properties_at_finite_temperature Optical properties at finite temperature] | |||
=== Friday 08 Apr === | === Friday 08 Apr === | ||
'''09:00 - 12:30: Python post-processing tools with Yambopy''' Fulvio Paleari (CNR-NANO, Italy), Alejandro Molina-Sanchez (Universitad de Valencia, Spain) | |||
* [[qepy_tutorial|Yambopy tutorial: band structures]] | |||
* [[yambopy_tutorial|Yambopy tutorial: Yambo databases]] | |||
== Lectures == | == Lectures == | ||
Latest revision as of 13:18, 4 April 2022
A general description of the goal(s) of the school can be found on the ICTP website and on the Yambo main website.
Setting up the Environment
To be able to follow the school you need (i) a running version of the yambo code, and (ii) the files and databases needed to run the tutorials. Below four alternative options to achieve that.
Access to a virtual machine which contains both (i) yambo and (ii) the tutorials. These two options are platform independent
- Option 1: Virtual machine via ICTP cloud (strongly suggested mode, works through internet connection inside a browser)
- Option 2: Install the yambo virtual machine on your laptop / desktop (requires Oracle virtual box. Pre-download of the Virtual machine. No internet connection needed)
Set-up the (i) yambo code on your on laptop / desktop
- Option 3.i: Install Yambo via Docker (requirements??)
- Option 4.i: Download and install yambo on your laptop / desktop (requires a linux machine).
- Option 5.i: Install yambo on your laptop/desktop/cluster via Spack.
and independently (ii)
- Options 3-4-5.ii: download the tutorial files following the instructions here
- Options 3-4-5.iii: here the instruction to install Yambopy via conda
Tutorials
Monday 04 Apr
14:40 - 18:00 From the DFT ground state to the complete setup of a Many Body calculation using Yambo, Davide Sangalli (CNR-ISM, Italy), Pedro Melo (Utrecht University, the Netherlands)
Tuesday 05 Apr
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), Alberto Guandalini (CNR-NANO, Italy)
Wednesday 06 Apr
14:00 - 18:00: Analysis of excitonic spectra, BSE solvers and convergence Fulvio Paleari (CNR-NANO, Italy), Davide Sangalli (CNR-ISM, Italy), Maurizia Palummo (Università di Roma Tor Vergata, Italy)
Thursday 07 Apr
14:00 - 18:00: Electron-phonon coupling in the Yambo code Andrea Marini (CNR-ISM, Italy), Claudio Attaccalite (Université de Marseille, France)
Friday 08 Apr
09:00 - 12:30: Python post-processing tools with Yambopy Fulvio Paleari (CNR-NANO, Italy), Alejandro Molina-Sanchez (Universitad de Valencia, Spain)
Lectures
All the lectures will be available in the Yambo-code YouTube channel
Monday 04 Apr
10:00 to 10:10 - Welcome & Introduction, Daniele Varsano (CNR-NANO, Italy)