Setting up Yambo

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To able to follow the tutorials you need a running version of the yambo, yambopy (and QE or abinit codes).

Setting up Yambo (and eventually QE or abinit)

There are several different ways to prepare a working environment.

Virtual Machine(s)

The easiest way is to access to a virtual machine which contains both (i) yambo/QE and (ii) the tutorials.

You can do it in one of two ways:

  • Virtual machine via ICTP cloud If the schools you are attending provided an ICTP virtual machine this is the preferred option. It works through internet connection inside a browser.
  • Install the yambo virtual machine on your laptop / desktop. This 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:

Yambo User Installation with Anaconda

It is possible to install Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository): To setup Anaconda, please start from installing Anaconda or Miniconda.

Then we suggest to create a conda environment and activate it: 

conda create --name yambo-env -c conda-forge
conda activate yambo-env

Then you can install the prerequisites and the two codes: 

conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas
conda install yambo 
conda install qe

Setting up Yambopy

You can simply type in a suitable python environment. 

python -m venv MYPATH/yamboenv/
source MYPATH/yamboenv/bin/activate
pip install yambopy

For more information, go to the Yambopy setup page.

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