RASESMA 2023 Nairobi: Difference between revisions

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(Created page with "thumb|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 su...")
 
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[[File:2023-02-03 12-35.png|thumb|RASESMA flyer]]
[[File:2023-02-03 12-35.png|thumb|RASESMA flyer]]


== Setting up the Environment ==
== 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.
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.
You have several options to prepare all needed to run the tutorials.
These two options are platform independent
* Option 1: Virtual machine via [[ICTP cloud|ICTP cloud]] ('''strongly suggested mode''', works through internet connection inside a browser)
* Option 2: Install the [[Yambo_Virtual_Machine|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
=== Virtual Machine(s) ===
* Option 3.i: Install [[Yambo via Docker|Yambo via Docker]]  (requirements??)
The easiest way is to access to a virtual machine which contains both (i) yambo and (ii) the tutorials.
* Option 4.i: [[download|Download]] and [[Installation|install]] yambo on your laptop / desktop (requires a linux machine).
* Option 5.i: Install yambo on your laptop/desktop/cluster [https://github.com/nicspalla/my-repo via Spack].
and independently (ii)
* Options 3-4-5.ii: download the tutorial files following the [[Tutorials|instructions here]]
* Options 3-4-5.iii: here the instruction to install [[Yambopy via conda|Yambopy via conda]]


== Tutorials ==
You can do it in two alternative ways:
* Virtual machine via [[ICTP cloud|ICTP cloud]] ('''strongly suggested mode''', works through internet connection inside a browser)
* Install the [[Yambo_Virtual_Machine|yambo virtual machine]] on your laptop / desktop (requires Oracle virtual box. Pre-download of the Virtual machine. No internet connection needed)


=== Monday 04 Apr ===
=== User installation  ===
<!--
You can also setup the yambo code on your on laptop / desktop using different methods.
'''14:40 - 18:00 From the DFT ground state to the complete setup of a Many Body calculation using Yambo''', Davide Sangalli (CNR-ISM, Italy), Pedro Melo (Utrecht University, the Netherlands)
 
* [[First steps: a walk through from DFT to optical properties]] (modular)
As far as the Yambo source is concerned you can:
* [[First steps: walk through from DFT to RPA (standalone)]]
* Install [[Yambo via Docker|Yambo via Docker]]
* [[First steps: walk through from DFT(standalone)|First steps: Initialization and more ]]
* [[download|Download]] and [[Installation|install]] yambo on your laptop / desktop (requires a linux machine).
* [[Next steps: RPA calculations (standalone)|Next steps: RPA calculations ]]
* Install yambo on your laptop/desktop/cluster [https://github.com/nicspalla/my-repo via Spack].
-->
 
Tutorials, instead, can be installed in two ways:
* Download the tutorial files following the [[Tutorials|instructions here]]
* Here the instruction to install [[Yambopy via conda|Yambopy via conda]]
 
== Program ==
 
 
=== Monday 20 Feb ===
 
{| class="wikitable"
|+Morning
|-
! 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 ||
|}
 
{| class="wikitable"
|+Afternoon
|-
! Time !! Tutorial !! Tutor(s)
|-
| 13:30 - 15:00 || Introduction to Quantum-Espresso || Mike Atambo
|-
| 15:00 - 15:30 || Break ||
|-
| rowspan="4"|15:30 - 17:00 || Introduction to Yambo || rowspan="4"| Andrea Marini
|-
| [http://www.yambo-code.org/educational/lectures/Yambo_Technical_Introduction.pdf Technical Introduction to Yambo]  
|-
| [http://www.yambo-code.org/educational/lectures/Yambo_Philosophy.pdf The Yambo Philosophy]  
|-
| [[First steps: a walk through from DFT to optical properties]]  
|}


=== Tuesday 05 Apr ===
=== Tuesday 21 Feb ===


<!--
'''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)
'''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)


* [[GW hBN Yambo Virtual 2021 version|How to obtain the quasi-particle band structure of a bulk material: h-BN]]
* [[GW hBN Yambo Virtual 2021 version|How to obtain the quasi-particle band structure of a bulk material: h-BN]]


=== Wednesday 06 Apr ===
=== Wednesday 22 Feb ===


'''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)
'''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)
Line 41: Line 79:
* [[BSE hBN Yambo Virtual 2021 version|How to obtain an optical spectrum]]
* [[BSE hBN Yambo Virtual 2021 version|How to obtain an optical spectrum]]


=== Thursday 07 Apr ===
=== Thursday 23 Feb ===


'''14:00 - 18:00: Electron-phonon coupling in the Yambo code''' Andrea Marini (CNR-ISM, Italy), Claudio Attaccalite (Université de Marseille, France)
'''14:00 - 18:00: Electron-phonon coupling in the Yambo code''' Andrea Marini (CNR-ISM, Italy), Claudio Attaccalite (Université de Marseille, France)
Line 48: Line 86:
* [https://www.yambo-code.org/wiki/index.php?title=Optical_properties_at_finite_temperature Optical properties at finite temperature]
* [https://www.yambo-code.org/wiki/index.php?title=Optical_properties_at_finite_temperature Optical properties at finite temperature]


=== Friday 08 Apr ===
=== Friday 24 Feb ===


'''09:00 - 12:30: Python post-processing tools with Yambopy'''  Fulvio Paleari (CNR-NANO, Italy), Alejandro Molina-Sanchez (Universitad de Valencia, Spain)
'''09:00 - 12:30: Python post-processing tools with Yambopy'''  Fulvio Paleari (CNR-NANO, Italy), Alejandro Molina-Sanchez (Universitad de Valencia, Spain)
Line 55: Line 93:
* [[yambopy_tutorial|Yambopy tutorial: Yambo databases]]
* [[yambopy_tutorial|Yambopy tutorial: Yambo databases]]


== Lectures ==
-->
 
All the lectures will be available in the Yambo-code YouTube [https://www.youtube.com/channel/UCO3LzAqb9W2Qk4EbG_83ATw channel]
 
=== Monday 04 Apr ===
 
'''10:00 to 10:10 - Welcome & Introduction''', Daniele Varsano (CNR-NANO, Italy)
 
=== Tuesday 05 Apr ===
 
=== Wednesday 06 Apr ===
 
=== Thursday 07 Apr ===
 
 
=== Friday 08 Apr ===

Revision as of 14:36, 3 February 2023

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:

Tutorials, instead, can be installed in two ways:

Program

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 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
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 Andrea Marini
Technical Introduction to Yambo
The Yambo Philosophy
First steps: a walk through from DFT to optical properties

Tuesday 21 Feb

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