Tutorials

Tutorial files and use of CECAM cluster

To follow the tutorials, you must first download or copy data files for each system. Files are distributed as gzipped tarballs. Always extract the tarballs in the same place.
Available systems are: hBN.tar.gz, hBN-2D.tar.gz.

• CECAM students: download and extract hBN and hBN-2D.

If using the CECAM iMac, your username is indicated (tutoXY).

If connecting from your notebook, choose a username from this list, and log into the CECAM computers via:

$ ssh -X tutoXY@cecampc4.epfl.ch     (if connecting from your notebook)

Then connect to the linux cluster, using the node node0RS that is associated with the username, and set up the tutorial as follows:

$ ssh -X node0RS 
$ pwd
/nfs_home/tutoXY
$ which pw.x yambo
/nfs_home/tutoadmin/bin/pw.x
/nfs_home/tutoadmin/bin/yambo
$ cd /home/scratch/                 (NB: do not run on the /nfs_home partition!)
$ mkdir yambo_YOUR_NAME             (there are more participants than accounts!)
$ cd yambo_YOUR_NAME
$ cp /nfs_home/tutoadmin/yambo-2017/tutorials/hBN.tar.gz .
$ tar -zxvf hBN.tar.gz      
$ ls 
YAMBO_TUTORIALS

X-forwarding, for plotting with gnuplot, should work. If not, try set DISPLAY:0.0 on your local machine; it might also help to keep one terminal open for plotting and the other for running codes. If all else fails, try the cool gnuplot trick gnuplot> set terminal dumb.

Full tutorials

If you are starting out with Yambo, or even an experienced user, we recommend that you complete the following tutorials before trying to use Yambo for your system. Each tutorial is fairly standalone, although some require that you have completed previous ones.

Introduction

• First steps: a walk through from DFT to optical properties

Quasiparticles in the GW approximation

• How to obtain the quasi-particle band structure of a bulk material: h-BN

Using Yambo in Parallel

• Running Yambo in a parallel environment

Excitons and the Bethe-Salpeter Equation

• Calculating optical spectra including excitonic effects: a step-by-step guide
• Obtaining a converged optical spectrum
• Many-body effects in low-dimensional systems: numerical issues and remedies
• Analysis of excitonic spectra in a 2D material
• Two particle excitations (try to bypass this page) : Learn how to set up and run calculations to obtain and analyze an optical absorption spectrum of bulk and low dimension materials by using the Bethe-Salpeter equation

Yambo-python driver

• Efficient many body calculations with the Yambo-python tool

Modules

An alternative way to learn Yambo is through a more detailed look at our documentation modules. These provide a focus on the input parameters, run time behaviour, and underlying physics behind each yambo task or runlevel. Although they can be followed separately, they are better followed as part of the more structured tutorials given above. The modules are grouped as follows:

• Generating the Yambo databases
• How to use Yambo
• Tricks for low dimensional systems
• Linear response and screening
• Quasiparticle properties
• Two-particle excitations

Other stuff and old stuff

• Parallelization
• Yambopy
• GW (quick port just for demo purposes)
• Parallelization (quick port just for demo purposes)

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