Yambopy - Revision history

Alejandro: /* GW. Basic usage: Convergence and approximations */

2017-03-03T08:35:41Z

GW. Basic usage: Convergence and approximations

← Older revision		Revision as of 08:35, 3 March 2017
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	We have chosen hexagonal boron nitride to explain the use of yambopy. Along this tutorial we show how to use yambopy to make efficient convergence tests, to compare different approximations and to analyze the results.		We have chosen hexagonal boron nitride to explain the use of yambopy. Along this tutorial we show how to use yambopy to make efficient convergence tests, to compare different approximations and to analyze the results.

	* GW convergence		* [[GW convergence]]
	* GW calculation in a regular grid and plot in a bath in the Brillouin zone		* 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)		* Approximations of the dielectric function (COHSEX, PPA, Real axis integration)

Alejandro: /* GW. Basic usage: Convergence and approximations */

2017-03-03T08:34:34Z

GW. Basic usage: Convergence and approximations

← Older revision		Revision as of 08:34, 3 March 2017
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	== GW. Basic usage: Convergence and approximations ==		== GW. Basic usage: Convergence and approximations ==

	We have chosen hexagonal boron nitride		We have chosen hexagonal boron nitride to explain the use of yambopy. Along this tutorial we show how to use yambopy to make efficient convergence tests, to compare different approximations and to analyze the results.

	* GW convergence		* GW convergence

Alejandro at 08:32, 3 March 2017

2017-03-03T08:32:27Z

← Older revision		Revision as of 08:32, 3 March 2017
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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].

	== GW. Basic usage: Convergence and approximations.		== GW. Basic usage: Convergence and approximations ==

	We have chosen hexagonal boron nitride		We have chosen hexagonal boron nitride

Alejandro at 08:32, 3 March 2017

2017-03-03T08:32:01Z

← Older revision		Revision as of 08:32, 3 March 2017
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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].

			== 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 module ==

Alejandro: /* Electron-phonon module */

2016-06-15T07:09:58Z

Electron-phonon module

← Older revision		Revision as of 07:09, 15 June 2016
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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.]]

Alejandro: /* Electron-phonon module */

2016-06-15T07:07:24Z

Electron-phonon module

← Older revision		Revision as of 07:07, 15 June 2016
Line 11:		Line 11:

	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]]

Alejandro at 06:59, 15 June 2016

2016-06-15T06:59:50Z

← Older revision		Revision as of 06:59, 15 June 2016
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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].

Alejandro: Created page with "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 analys..."

2016-06-15T06:58:41Z

Created page with "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 analys..."

New page

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 [https://github.com/henriquemiranda/yambo-py yambopy].