ICTP 2022: Difference between revisions
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=== Tuesday 05 Apr === | === Tuesday 05 Apr === | ||
'''13:30 - 16:30 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), | '''13:30 - 16:30 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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'''13:30 to 15: Calculating optical spectra including excitonic effects: a step-by-step guide''' | '''13:30 to 15: Calculating optical spectra including excitonic effects: a step-by-step guide''' | ||
'''15 to 16:30: Analysis of excitonic spectra, BSE solvers and convergence''' Fulvio Paleari (CNR-ISM, Italy), | '''15 to 16:30: Analysis of excitonic spectra, BSE solvers and convergence''' Fulvio Paleari (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]] | ||
Revision as of 09:09, 30 March 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).
and independently (ii)
- Options 3-4.ii: download the tutorial files following the instructions here
Tutorials
Monday 04 Apr
14:00 - 14:30 Hands-on setup
14:30 - 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 Utrecht, the Netherlands)
Tuesday 05 Apr
13:30 - 16:30 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
13:30 to 15: Calculating optical spectra including excitonic effects: a step-by-step guide
15 to 16:30: Analysis of excitonic spectra, BSE solvers and convergence Fulvio Paleari (CNR-ISM, Italy), Maurizia Palummo (Università di Roma Tor Vergata, Italy)
Thursday 07 Apr
Friday 08 Apr
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)