ICTP 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)

• First steps: Initialization and more
• Next steps: RPA calculations

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)

• How to obtain the quasi-particle band structure of a bulk material: h-BN

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)

• How to obtain an optical spectrum

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)

• Electron Phonon Coupling
• Optical properties at finite temperature

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)

• Yambopy tutorial: band structures
• Yambopy tutorial: Yambo databases

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)