Yambopy: Difference between revisions
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You can download in [https://github.com/henriquemiranda/yambo-py yambopy]. | You can download in [https://github.com/henriquemiranda/yambo-py yambopy]. | ||
== 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 [https://yambopy.readthedocs.io/ tutorial]. | |||
Revision as of 06:59, 15 June 2016
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.
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.