QMAXFOCKAE - Revision history

Huebsch at 12:55, 17 October 2024

2024-10-17T12:55:40Z

← Older revision		Revision as of 12:55, 17 October 2024
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	{{TAGDEF\|QMAXFOCKAE\|[real array] }}		{{TAGDEF\|QMAXFOCKAE\|[real array] }}

	Description: ~~The parameter {{TAG\|QMAXFOCKAE}} controls~~ at which wave vectors the local augmentation		Description: Controls at which wave vectors the local augmentation
	charges are fitted to obtain an accurate charge augmentation on the plane wave grid.		charges are fitted to obtain an accurate charge augmentation on the plane-wave grid.
	----		----

	We do not recommend setting these tags manually, except after careful inspection		We do not recommend setting these tags manually, except after careful inspection of the VASP code (fast_aug.F). The default values are 6.0 Å<sup>-1</sup>
	of the VASP code (fast_aug.F). The default values are 6.0 Å<sup>-1</sup>		if {{TAG\|NMAXFOCKAE}}=1 (corresponding to 140 eV), and 5.0 and 10 Å<sup>-1</sup> (corresponding to 95 eV and 380 eV) for {{TAG\|NMAXFOCKAE}}=2.
	if {{TAG\|NMAXFOCKAE}}=1 (corresponding to 140 eV), and 5.0 and 10 Å<sup>-1</sup> (corresponding to 95 eV and 380 eV)
	for {{TAG\|NMAXFOCKAE}}=2.

	== Related tags and articles ==		== Related tags and articles ==
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	{{sc\|QMAXFOCKAE\|Examples\|Examples that use this tag}}		{{sc\|QMAXFOCKAE\|Examples\|Examples that use this tag}}
	~~----~~

	[[Category:INCAR tag~~]][[Category:Electronic minimization~~]][[Category:Projector-augmented-wave method]]		[[Category:INCAR tag]][[Category:Projector-augmented-wave method]]

2022-04-06T15:45:54Z

← Older revision		Revision as of 15:45, 6 April 2022
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	----		----

	We do not recommend ~~to set~~ these ~~flags~~ manually, except after careful inspection		We do not recommend setting these tags manually, except after careful inspection
	of the ~~vasp~~ code (fast_aug.F). The default values are 6.0 Å<sup>-1</sup>		of the VASP code (fast_aug.F). The default values are 6.0 Å<sup>-1</sup>
	if {{TAG\|NMAXFOCKAE}}=1 (corresponding to 140 eV), and 5.0 and 10 Å<sup>-1</sup> (corresponding to 95 eV and 380 eV)		if {{TAG\|NMAXFOCKAE}}=1 (corresponding to 140 eV), and 5.0 and 10 Å<sup>-1</sup> (corresponding to 95 eV and 380 eV)
	for {{TAG\|NMAXFOCKAE}}=2.		for {{TAG\|NMAXFOCKAE}}=2.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|NMAXFOCKAE}},		{{TAG\|NMAXFOCKAE}},
	{{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}		{{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}
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	----		----

	[[Category:INCAR]][[Category:Electronic ~~Minimization~~]][[Category:~~PAW~~]]		[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Projector-augmented-wave method]]

2019-04-19T10:44:48Z

← Older revision		Revision as of 10:44, 19 April 2019
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	{{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}		{{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}

			{{sc\|QMAXFOCKAE\|Examples\|Examples that use this tag}}
	----		----

	[[Category:INCAR]][[Category:Electronic Minimization]][[Category:PAW]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:PAW]]

2019-04-19T10:42:53Z

← Older revision		Revision as of 10:42, 19 April 2019
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	----		----
	~~[[The_VASP_Manual\|Contents]]~~
	[[Category:INCAR]][[Category:Electronic Minimization]][[Category:PAW]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:PAW]]

2019-03-07T11:16:14Z

← Older revision		Revision as of 11:16, 7 March 2019
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	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]
	[[Category:INCAR]][[Category:PAW]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:PAW]]

2019-03-03T17:46:04Z

2018-01-16T17:51:40Z

← Older revision		Revision as of 17:51, 16 January 2018
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	{{TAG\|NMAXFOCKAE}},		{{TAG\|NMAXFOCKAE}},
	{{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}		{{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}

			----
			[[The_VASP_Manual\|Contents]]
			[[Category:INCAR]]

2017-03-14T15:33:57Z

Related Tags and Sections

← Older revision		Revision as of 15:33, 14 March 2017
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|NMAXFOCKAE}},		{{TAG\|NMAXFOCKAE}},
	{{TAG\|LMAXFOCKAE~~}}, {{TAG\|QMAXFOCKAE~~}}, {{TAG\|LFOCKAEDFT}}		{{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}

2017-03-14T15:33:42Z

Related Tags and Sections

← Older revision		Revision as of 15:33, 14 March 2017
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|NMAXFOCKAE}},		{{TAG\|NMAXFOCKAE}},
	{{TAG\|LMAXFOCKAE}}		{{TAG\|LMAXFOCKAE}}, {{TAG\|QMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}

2017-03-14T15:26:17Z

← Older revision		Revision as of 15:26, 14 March 2017
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	{{TAGDEF\|QMAXFOCKAE\|[real array] }}		{{TAGDEF\|QMAXFOCKAE\|[real array] }}

	Description: The parameter {{TAG\|QMAXFOCKAE}} controls at which wave vectors an accurate		Description: The parameter {{TAG\|QMAXFOCKAE}} controls at which wave vectors the local augmentation
	charge augmentation ~~is performed~~.		charges are fitted to obtain an accurate charge augmentation on the plane wave grid.
	----		----