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== Electron-phonon scripts == | == Electron-phonon scripts == | ||
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. The tutorial is available here: [yambopy.readthedocs.io/] | 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. The tutorial is available here: [yambopy.readthedocs.io/ tutorial yambopy]. | ||
Revision as of 06:53, 15 June 2016
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.
Electron-phonon scripts
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. The tutorial is available here: [yambopy.readthedocs.io/ tutorial yambopy].