Yambopy

Automatic workflows for yambo using python able to:

• Create Yambo input files using a transparent python script
• Collect the output data in .json files for posterior analysis
• Plot the results using matplotlib
• Create Quantum Espresso input files using python

You can download in yambopy.

== GW. Basic usage: Convergence and approximations.

We have chosen hexagonal boron nitride

• GW convergence
• GW calculation in a regular grid and plot in a bath in the Brillouin zone
• Approximations of the dielectric function (COHSEX, PPA, Real axis integration)
• Solvers (Newton, Secant, Green's function)

Electron-phonon module

Electron-phonon interaction calculations requires to obtain electronic states, phonon states and the electron-phonon interaction matrix elements. The calculation of the electron-phonon interaction requires many intermediate steps. In order to facilitate the task we have developed a set of scripts to automatize the workflow. More details are available in the tutorial.

Workflow for a calculation of the electron-phonon interaction matrix elements.