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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]. | 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]. | ||
[[File:Tutorial-el-ph 1.jpg]] | [[File:Tutorial-el-ph 1.jpg|thumb|left|upright=1.6|Workflow for a calculation of the electron-phonon interaction matrix elements.]] | ||
Revision as of 07:09, 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.
