RASESMA 2023 Nairobi

RASESMA flyer

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

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)