Pushing convergence in parallel - Revision history

Attacc: /* Convergence with the energy cut-off on the response function */

2022-02-03T09:38:08Z

Convergence with the energy cut-off on the response function

← Older revision		Revision as of 09:38, 3 February 2022
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	The variable we now consider is the energy cut-off, i.e. the number of G-vectors used to construct the <math>\chi_{G,G'}(\omega)</math> matrix		The variable we now consider is the energy cut-off, i.e. the number of G-vectors used to construct the <math>\chi_{G,G'}(\omega)</math> matrix

	NGsBlkXp= <span style="color: red">~~8000~~ ~~mHa~~</span> # [Xp] Response block size		NGsBlkXp= <span style="color: red">4000 mRy</span> # [Xp] Response block size

	Even in this case try changing the input value from a low value to a big one.		Even in this case try changing the input value from a low value to a big one.

2022-02-03T09:34:34Z

← Older revision		Revision as of 09:34, 3 February 2022
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	The variable we now consider is the energy cut-off, i.e. the number of G-vectors used to construct the <math>\chi_{G,G'}(\omega)</math> matrix		The variable we now consider is the energy cut-off, i.e. the number of G-vectors used to construct the <math>\chi_{G,G'}(\omega)</math> matrix

	NGsBlkXp= <span style="color: red">4 Ry</span> # [Xp] Response block size		NGsBlkXp= <span style="color: red">8000 mHa</span> # [Xp] Response block size

	Even in this case try changing the input value from a low value to a big one.		Even in this case try changing the input value from a low value to a big one.

2020-01-24T14:32:03Z

Files and Tools

← Older revision		Revision as of 14:32, 24 January 2020
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	*[http://www.yambo-code.org/educational/tutorials/files/hBN-2D-para.tar.gz hBN-2D-para.tar.gz]		*[http://www.yambo-code.org/educational/tutorials/files/hBN-2D-para.tar.gz hBN-2D-para.tar.gz]
	*[http://www.yambo-code.org/educational/tutorials/files/~~parse_yambo~~.py ~~parse_yambo~~.py]		*[http://www.yambo-code.org/educational/tutorials/files/parse_ytiming.py parse_ytiming.py] (or wiki version: [[parse_ytiming.py]])
	*[http://www.yambo-code.org/educational/tutorials/files/parse_qp.py parse_qp.py] (or wiki version: [[parse_qp.py]])		*[http://www.yambo-code.org/educational/tutorials/files/parse_qp.py parse_qp.py] (or wiki version: [[parse_qp.py]])

2020-01-21T14:36:08Z

Files and Tools

← Older revision		Revision as of 14:36, 21 January 2020
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	*[http://www.yambo-code.org/educational/tutorials/files/hBN-2D-para.tar.gz hBN-2D-para.tar.gz]		*[http://www.yambo-code.org/educational/tutorials/files/hBN-2D-para.tar.gz hBN-2D-para.tar.gz]
	*[http://www.yambo-code.org/educational/tutorials/files/parse_yambo.py parse_yambo.py]		*[http://www.yambo-code.org/educational/tutorials/files/parse_yambo.py parse_yambo.py]
	*[http://www.yambo-code.org/educational/tutorials/files/parse_qp.py parse_qp.py]		*[http://www.yambo-code.org/educational/tutorials/files/parse_qp.py parse_qp.py] (or wiki version: [[parse_qp.py]])

	== 2D hBN ==		== 2D hBN ==

2020-01-21T14:30:23Z

Files and Tools

← Older revision		Revision as of 14:30, 21 January 2020
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	Database and tools can be downloaded here:		Database and tools can be downloaded here:

	*[http://www.yambo-code.org/tutorials/files/hBN-2D-para.tar.gz hBN-2D-para.tar.gz]		*[http://www.yambo-code.org/educational/tutorials/files/hBN-2D-para.tar.gz hBN-2D-para.tar.gz]
	*[http://www.yambo-code.org/tutorials/files/parse_yambo.py parse_yambo.py]		*[http://www.yambo-code.org/educational/tutorials/files/parse_yambo.py parse_yambo.py]
	*[http://www.yambo-code.org/tutorials/files/parse_qp.py parse_qp.py]		*[http://www.yambo-code.org/educational/tutorials/files/parse_qp.py parse_qp.py]

	== 2D hBN ==		== 2D hBN ==

2020-01-21T14:28:46Z

Files and Tools

← Older revision		Revision as of 14:28, 21 January 2020
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	Database and tools can be downloaded here:		Database and tools can be downloaded here:

	*[http://www.yambo-code.org/tutorials/files/hBN-2D-para.tar.gz BN-2D-para.tar.gz]		*[http://www.yambo-code.org/tutorials/files/hBN-2D-para.tar.gz hBN-2D-para.tar.gz]
	*[http://www.yambo-code.org/tutorials/files/parse_yambo.py parse_yambo.py]		*[http://www.yambo-code.org/tutorials/files/parse_yambo.py parse_yambo.py]
	*[http://www.yambo-code.org/tutorials/files/parse_qp.py parse_qp.py]		*[http://www.yambo-code.org/tutorials/files/parse_qp.py parse_qp.py]

2019-11-05T16:11:27Z

← Older revision		Revision as of 16:11, 5 November 2019
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			'''This modules contains very general discussions of the parallel environment of Yambo. Still the actual run of the code is specific to the CECAM cluster. If you want to run it just replace the parallel queue instructions with simple MPI commands.'''

	==Files and Tools==		==Files and Tools==
	Database and tools can be downloaded here:		Database and tools can be downloaded here:

2017-05-16T07:58:42Z

← Older revision		Revision as of 07:58, 16 May 2017
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	Database and tools can be downloaded here:		Database and tools can be downloaded here:

	*[http://www.yambo-code.org/tutorials/files/hBN-2D-para.tar.gz\| BN-2D-para.tar.gz]		*[http://www.yambo-code.org/tutorials/files/hBN-2D-para.tar.gz BN-2D-para.tar.gz]
	*[http://www.yambo-code.org/tutorials/files/parse_yambo.py\| parse_yambo.py]		*[http://www.yambo-code.org/tutorials/files/parse_yambo.py parse_yambo.py]
	*[http://www.yambo-code.org/tutorials/files/parse_qp.py\| parse_qp.py]		*[http://www.yambo-code.org/tutorials/files/parse_qp.py parse_qp.py]

	== 2D hBN ==		== 2D hBN ==

2017-04-26T15:32:35Z

← Older revision		Revision as of 15:32, 26 April 2017
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			==Files and Tools==
			Database and tools can be downloaded here:

			*[http://www.yambo-code.org/tutorials/files/hBN-2D-para.tar.gz\| BN-2D-para.tar.gz]
			*[http://www.yambo-code.org/tutorials/files/parse_yambo.py\| parse_yambo.py]
			*[http://www.yambo-code.org/tutorials/files/parse_qp.py\| parse_qp.py]

	== 2D hBN ==		== 2D hBN ==

2017-04-26T14:06:54Z

2D hBN

← Older revision		Revision as of 14:06, 26 April 2017
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	/scratch/cecam.schoolXY/yambo_YOUR_NAME		/scratch/cecam.schoolXY/yambo_YOUR_NAME
	you can proceed.		you can proceed.
	$ cd YAMBO_TUTORIALS/hBN-2D/YAMBO		$ cd YAMBO_TUTORIALS/hBN-2D-para/YAMBO
	For the present tutorial you will need an upgraded version of the parse_qp.py. <br>		For the present tutorial you will need an upgraded version of the parse_qp.py. <br>
	You can get it from the scratch folder		You can get it from the scratch folder