RASESMA 2023 Nairobi
Revision as of 14:55, 3 February 2023 by Yambowikiadmin (talk | contribs)
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
Monday 20 Feb
| Time | Lecture | Speaker |
|---|---|---|
| 09:00 - 09:20 | Welcome & Introduction | The Organizers |
| 09:30 - 10:20 | General Introduction to Density Functional Theory | TBC |
| 10:20 - 11:10 | Kohn-Sham, Exchange-Correlation functionals, approximations | TBC |
| 11:10 - 11:30 | Break | |
| 11:30 - 12:20 | DFT in practice: Plane-Waves, pseudopotentials | TBC |
| 12:20 - 13:30 | Lunch |
| 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 |
| Technical Introduction to Yambo | ||
| The Yambo Philosophy | ||
| database generation for bulk hBN |
Tuesday 21 Feb
| 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 | TBC | TBC |
| 12:00 - 13:00 | Lunch |
| 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
| Time | Lecture | Speaker |
|---|---|---|
| 09:00 - 09:50 | Quantum Mechanics in a nutshell | Andrea Marini |
| 09:50 - 10:40 | Correlation & Diagrams | Andrea Marini |
| 10:40 - 11:10 | Break | |
| 11:10 - 12:00 | TBC | TBC |
| 12:00 - 13:00 | Lunch |
| 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 |