APhRICA school (Nairobi)

This page provides an overview, instructions and tutorials for the APhRICA school on computation Many-Body theory dedicated to Yambo.

Short intro to APhRICA

APhRICA is an initiative, put in place by an international network, with the active participation of African academic institutions and research centers: the East African Center for Theoretical Physics in Rwanda and the Technical University of Kenya.

The ultimate APhRICA goal is to build a bridge between young African scholars, Europe and some of its excellent institutions. The mid-long term mission is to train and enhance the skills of a generation of young scientists, enabling them to contribute to the development of the African continent, which increasingly represents a strategic player in global progress, applying and spending the high level of scientific knowledge acquired.

Tentative Program

Legend is:

• T: Theoretical lecture

• HoP: Hands-on preparatory presentation

• Ho: Hands-on

Day 1 (Tue. July 7^th)

afternoon	- The Periodic Lattice Representation,(PLR) (T) - The Hamiltonian (\(\hat{H}\)) in the PLR (T) - Review of the real–space MBPT: HF, Linear-Response, GW (T)

Day 2 (Wed. July 8^th)

morning	- HF in the PRL (T)
afternoon	- Yambo intro (HoP) - Code(s) installation (Ho) - DFT preparatory runs (Ho) - Hartree-Fock (Ho)

Hands-on

1. Create the SAVE folder

2. Initialize the SAVE folder

3. Generate input files using Yambo’s command-line interface

4. Quasiparticle corrections within the Hartree-Fock approximation

Day 3 (Thurs. July 9^th)

morning	- Bethe-Salpeter equation (BSE) (T) - Linear-Response in the PLR (T)
afternoon	- Linear-Response convergenve (HoP) - Linear Response (Ho)

Hands-on

1. Optics at the independent particle level

2. RPA and local field effects

Day 4 (Fri. July 10^th)

morning	- GW in the PLR (T)
afternoon	- GW convergenve (HoP) - GW (Ho)

Hands-on

A full GW calculation with Yambo

Day 5 (Sat. July 11^th)

morning	- BSE in the PLR (T)
afternoon	- BSE convergenve (HoP) - BSE (Ho)

Hands-on

BSE on MoS₂

Get the files for the tutorial

Let us now create a directory where we will do the tutorial:

$ mkdir yambo
$ cd yambo

At this point, download the files used in the tutorial via wget:

$ wget https://media.yambo-code.eu/educational/tutorials/files/hBN.tar.gz 
$ wget https://media.yambo-code.eu/educational/tutorials/files/hBN-2D.tar.gz 
$ wget https://media.yambo-code.eu/educational/tutorials/files/MoS2_HPC_BSE_tutorial.tar.gz

and extract (unzip) them

$ tar -xvf hBN.tar.gz
$ tar -xvf hBN-2D.tar.gz
$ tar -xvf MoS2_HPC_BSE_tutorial.tar.gz

You are now all set for the tutorial. Just for safety, check that the executable works by typing

$ yambo -h

This should print the help of the Yambo command-line interface.