NMAXFOCKAE - Revision history

Huebsch: Replaced content with "#REDIRECT NMAXFOCKAE and LMAXFOCKAE"

2025-02-28T10:21:12Z

Replaced content with "#REDIRECT NMAXFOCKAE and LMAXFOCKAE"

← Older revision		Revision as of 10:21, 28 February 2025
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	#REDIRECT [[NMAXFOCKAE and LMAXFOCKAE]]		#REDIRECT [[NMAXFOCKAE and LMAXFOCKAE]]

	~~{{TAGDEF\|NMAXFOCKAE\|1{{!}}2\|1}}~~

	~~Description: {{TAG\|NMAXFOCKAE}} and {{TAG\|LMAXFOCKAE}} determine whether~~
	the overlap densities in the Fock exchange and correlated wave function methods are accurately reconstructed on the plane wave grid. This flag generally only applies to the Fock-exchange part as well as many-body
	~~post DFT methods (GW, RPA, MP2, etc.). Details can be found in the section {{TAG\|LMAXFOCKAE}}.~~

	~~----~~


	~~== Related tags and articles ==~~
	~~{{TAG\|LMAXFOCK}}, {{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}~~
	~~----~~
	~~[[The_VASP_Manual\|Contents]]~~

	~~[[Category:INCAR tag]][[Category:Hybrids]][[Category:GW]]~~

2022-04-08T14:49:51Z

Related Tags and Sections

← Older revision		Revision as of 14:49, 8 April 2022
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	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|LMAXFOCK}}, {{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}		{{TAG\|LMAXFOCK}}, {{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Hybrids]][[Category:GW]]		[[Category:INCAR tag]][[Category:Hybrids]][[Category:GW]]

2017-03-15T12:04:19Z

← Older revision		Revision as of 12:04, 15 March 2017
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	#REDIRECT [[NMAXFOCKAE and LMAXFOCKAE]]		#REDIRECT [[NMAXFOCKAE and LMAXFOCKAE]]

	{{TAGDEF\|NMAXFOCKAE\|1{{!}}2\|1}}		{{TAGDEF\|NMAXFOCKAE\|1{{!}}2\|1}}

2017-03-15T11:57:51Z

← Older revision		Revision as of 11:57, 15 March 2017
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			#REDIRECT [[NMAXFOCKAE and LMAXFOCKAE]]
	{{TAGDEF\|NMAXFOCKAE\|1{{!}}2\|1}}		{{TAGDEF\|NMAXFOCKAE\|1{{!}}2\|1}}

2017-03-14T15:32:56Z

Related Tags and Sections

← Older revision		Revision as of 15:32, 14 March 2017
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|LMAXFOCK}}, {{TAG\|LMAXFOCKAE}}		{{TAG\|LMAXFOCK}}, {{TAG\|LMAXFOCKAE}}, {{TAG\|LFOCKAEDFT}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Hybrids]][[Category:GW]]		[[Category:INCAR]][[Category:Hybrids]][[Category:GW]]

2017-03-14T15:09:45Z

Related Tags and Sections

← Older revision		Revision as of 15:09, 14 March 2017
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|LMAXFOCK}} {{TAG\|LMAXFOCKAE}}		{{TAG\|LMAXFOCK}}, {{TAG\|LMAXFOCKAE}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Hybrids]][[Category:GW]]		[[Category:INCAR]][[Category:Hybrids]][[Category:GW]]

2017-03-14T14:32:53Z

← Older revision		Revision as of 14:32, 14 March 2017
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Hybrids]]		[[Category:INCAR]][[Category:Hybrids]][[Category:GW]]

2017-03-14T14:22:20Z

@@ Line 10: / Line 10: @@
 == Related Tags and Sections ==
 {{TAG|LMAXFOCK}} {{TAG|LMAXFOCKAE}}
 ----
 [[The_VASP_Manual|Contents]]
 [[Category:INCAR]][[Category:Hybrids]]

2017-03-14T14:22:02Z

← Older revision		Revision as of 14:22, 14 March 2017
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	{{TAGDEF\|NMAXFOCKAE\|1{{!}}2\|1}}		{{TAGDEF\|NMAXFOCKAE\|1{{!}}2\|1}}

	~~{{TAGDEF\|LMAXFOCKAE\|[integer]}}~~
	~~{{DEF\|LAXMFOCKAE\|-1\|for Hartree-Fock and hybrid functionals \| 4 \| for post DFT methods}}~~

	Description: {{TAG\|NMAXFOCKAE}} and {{TAG\|LMAXFOCKAE}} determine whether		Description: {{TAG\|NMAXFOCKAE}} and {{TAG\|LMAXFOCKAE}} determine whether
	the overlap densities in the Fock exchange and correlated wave function methods are accurately reconstructed on the plane wave grid. This flag generally only applies to the Fock-exchange part as well as many-body		the overlap densities in the Fock exchange and correlated wave function methods are accurately reconstructed on the plane wave grid. This flag generally only applies to the Fock-exchange part as well as many-body
	post DFT methods (GW, RPA, MP2, etc.).		post DFT methods (GW, RPA, MP2, etc.). Details can be found in the section {{TAG\|LMAXFOCKAE}}.

			----


			== Related Tags and Sections ==
			{{TAG\|LMAXFOCK}} {{TAG\|LMAXFOCKAE}}
			----
			[[The_VASP_Manual\|Contents]]

			[[Category:INCAR]][[Category:Hybrids]]


	----		----

2017-03-14T14:03:00Z

← Older revision		Revision as of 14:03, 14 March 2017
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	In summary, usefully manual setting of {{TAG\|NMAXFOCKAE}} and {{TAG\|LMAXFOCKAE}} are:		In summary, usefully manual setting of {{TAG\|NMAXFOCKAE}} and {{TAG\|LMAXFOCKAE}} are:
	* {{TAG\|LMAXFOCKAE}}=-1, to switch off the accurate augmentation altogether		* {{TAG\|LMAXFOCKAE}}=-1, to switch off the accurate augmentation altogether
	* {{TAG\|LMAXFOCKAE}}=4 (or larger) to force an accurate treatment for the HF part even in Hartree-Fock calculations		* {{TAG\|LMAXFOCKAE}}=4 (or larger) to force an accurate treatment for the HF part even in Hartree-Fock calculations
	* {{TAG\|NMAXFOCKAE}}=2, to select the very accurate augmentation. Please check whether the VASP default setting for {{TAG\|LMAXFOCKAE}} suffices (OUTCAR file).		* {{TAG\|NMAXFOCKAE}}=2, to select the very accurate augmentation. Please check whether the VASP default setting for {{TAG\|LMAXFOCKAE}} suffices (OUTCAR file).

← Older revision		Revision as of 14:03, 14 March 2017
Line 54:		Line 54:
	In summary, usefully manual setting of {{TAG\|NMAXFOCKAE}} and {{TAG\|LMAXFOCKAE}} are:		In summary, usefully manual setting of {{TAG\|NMAXFOCKAE}} and {{TAG\|LMAXFOCKAE}} are:
	* {{TAG\|LMAXFOCKAE}}=-1, to switch off the accurate augmentation altogether		* {{TAG\|LMAXFOCKAE}}=-1, to switch off the accurate augmentation altogether
	* {{TAG\|LMAXFOCKAE}}=4 (or larger) to force an accurate treatment for the HF part even in Hartree-Fock calculations		* {{TAG\|LMAXFOCKAE}}=4 (or larger) to force an accurate treatment for the HF part even in Hartree-Fock calculations
	* {{TAG\|NMAXFOCKAE}}=2, to select the very accurate augmentation. Please check whether the VASP default setting for {{TAG\|LMAXFOCKAE}} suffices (OUTCAR file).		* {{TAG\|NMAXFOCKAE}}=2, to select the very accurate augmentation. Please check whether the VASP default setting for {{TAG\|LMAXFOCKAE}} suffices (OUTCAR file).