RASESMA 2023 Nairobi

RASESMA flyer

Setting up Yambo, QE and the tutorials

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.

You have several options to prepare all needed to run the tutorials.

Virtual Machine(s)

The easiest way is to access to a virtual machine which contains both (i) yambo and (ii) the tutorials.

You can do it in two alternative ways:

• Virtual machine via ICTP cloud (strongly suggested mode, works through internet connection inside a browser)
• Install the yambo virtual machine on your laptop / desktop (requires Oracle virtual box. Pre-download of the Virtual machine. No internet connection needed)

User installation

You can also setup the yambo code on your on laptop / desktop using different methods.

As far as the Yambo source is concerned you can:

• Install Yambo via Docker
• Download and install yambo on your laptop / desktop (requires a linux machine).
• Install yambo on your laptop/desktop/cluster via Spack.

Tutorials, instead, can be installed in two ways:

• Download the tutorial files following the instructions here
• Here the instruction to install Yambopy via conda

Sunday 19 Feb

For who will be already in Nairobi we will have a get together & Yambo installation session at the YMCA Central starting. Time will be decided on the basis of who will participate.

If you are interested drop an E-mail at rasesma2023@tukenya.ac.ke

Monday 20 Feb

Morning

Time	Lecture	Speaker
09:00 - 09:20	Welcome & Introduction	The Organizers
09:30 - 10:20	General Introduction to Density Functional Theory	Omololu Akin-Ojo
10:20 - 11:10	Kohn-Sham, Exchange-Correlation functionals, approximations	Korir Kipronoh
11:10 - 11:30	Break
11:30 - 12:20	Density Functional Theory in practice: Plane-Waves, pseudopotentials	Omololu Akin-Ojo or Korir Kipronoh
12:20 - 13:30	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:30 - 15:00	Introduction to Quantum-Espresso	Mike Atambo
15:00 - 15:30	Break
15:30 - 17:00	Introduction to Yambo	Yambo Team
	The Yambo Philosophy
	Technical Introduction to Yambo
	database generation for bulk hBN

Tuesday 21 Feb

Morning

Time	Lecture	Speaker
09:00 - 09:50	Introduction to Spectroscopy	Matteo Gatti
09:50 - 10:40	Linear Response Theory	Andrea Marini
10:40 - 11:10	Break
11:10 - 12:00	Introduction to TDDFT in extended systems	Matteo Gatti
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 17:00	Initialization	Yambo Team
	Input file generation and command line options (5.0)
	Break
	Optics at the independent particle level
	Local fields

Wednesday 22 Feb

Morning

Time	Lecture	Speaker
09:00 - 09:50	Quantum Mechanics in a nutshell	Andrea Marini
09:50 - 10:40	Correlation & Diagrams	Andrea Marini
	Heuristic Introduction to GW
10:40 - 11:10	Break
11:10 - 12:00	GW in practice	Mike Atambo
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 17:00	How to obtain the quasi-particle band structure of a bulk material: h-BN	Yambo Team
	Break
	GW parallel strategies

Thursday 23 Feb

Morning

Time	Lecture	Speaker
09:50 - 10:40	Real-Time approach to BSE	Andrea Marini
09:50 - 10:40	TBC	TBC
10:40 - 11:10	Break
11:10 - 12:00	TBC	TBC
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 17:00	Calculating optical spectra including excitonic effects: a step-by-step guide	Yambo Team
	Break
	How to choose the input parameters

Friday 24 Feb

Morning

Time	Lecture	Speaker
09:00 - 10:40	First steps in Yambopy	Mike Atambo
10:40 - 11:10	Break
11:10 - 12:00	Students projects discussion	The Organizers
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 17:00	TBC	TBC