RASESMA 2023 Nairobi
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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
Program
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 | Andrea Marini |
| Technical Introduction to Yambo | ||
| The Yambo Philosophy | ||
| First steps: a walk through from DFT to optical properties |