NGZ - Revision history

Huebsch at 11:56, 17 October 2024

2024-10-17T11:56:12Z

← Older revision		Revision as of 11:56, 17 October 2024
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	----		----

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

Ftran at 08:15, 17 October 2023

2023-10-17T08:15:54Z

← Older revision		Revision as of 08:15, 17 October 2023
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	::{\| cellpadding="5" cellspacing="0" border="1"		::{\| cellpadding="5" cellspacing="0" border="1"
	\|{{TAG\|PREC}} \|\| {{TAG\|NGZ}}		\|{{TAG\|PREC}} \|\|align="center"\| {{TAG\|NGZ}}
	\|-		\|-
	\| Normal \|\| 3/2×<math>G_{\rm cut}</math>		\| Normal \|\|align="center"\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| Single (VASP.5) \|\| 3/2×<math>G_{\rm cut}</math>		\| Single (VASP.5) \|\|align="center"\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| Single (VASP.6) \|\| 2×<math>G_{\rm cut}</math>		\| Single (VASP.6) \|\|align="center"\| 2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| SingleN (VASP.6) \|\| 3/2×<math>G_{\rm cut}</math>		\| SingleN (VASP.6) \|\|align="center"\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| Accurate \|\| 2×<math>G_{\rm cut}</math>		\| Accurate \|\|align="center"\| 2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| Low \|\| 3/2×<math>G_{\rm cut}</math>		\| Low \|\|align="center"\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| Medium \|\| 3/2×<math>G_{\rm cut}</math>		\| Medium \|\|align="center"\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| High \|\| 2×<math>G_{\rm cut}</math>		\| High \|\|align="center"\| 2×<math>G_{\rm cut}</math>
	\|}		\|}
	where		where

Ftran at 07:53, 17 October 2023

2023-10-17T07:53:08Z

← Older revision		Revision as of 07:53, 17 October 2023
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	Description: {{TAG\|NGZ}} sets the number of grid points in the FFT grid along the third lattice vector.		Description: {{TAG\|NGZ}} sets the number of grid points in the FFT grid along the third lattice vector.
	----		----
	By default {{TAG\|NGZ}} is set in accordance with the requested "precision" mode ({{TAG\|PREC}}) and the plane wave kinetic energy cutoff {{TAG\|ENCUT}}:		By default {{TAG\|NGZ}} is set in accordance with the requested "precision" mode {{TAG\|PREC}} and the plane wave kinetic energy cutoff {{TAG\|ENCUT}}:

	::{\| cellpadding="5" cellspacing="0" border="1"		::{\| cellpadding="5" cellspacing="0" border="1"

Ftran at 07:50, 17 October 2023

2023-10-17T07:50:45Z

← Older revision		Revision as of 07:50, 17 October 2023
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	{{TAG\|PREC}},		{{TAG\|PREC}},
	{{TAG\|ENCUT}},		{{TAG\|ENCUT}},
	{{TAG\|ENAUG~~}},~~		{{TAG\|ENAUG}}
	~~{{TAG\|ENMAX~~}}

	{{sc\|NGZ\|Examples\|Examples that use this tag}}		{{sc\|NGZ\|Examples\|Examples that use this tag}}

Ftran at 07:49, 17 October 2023

2023-10-17T07:49:45Z

← Older revision		Revision as of 07:49, 17 October 2023
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	{{TAGDEF\|NGZ\|[integer]\|set in accordance with {{TAG\|PREC}} and {{TAG\|ENCUT}}}}		{{TAGDEF\|NGZ\|[integer]\|set in accordance with {{TAG\|PREC}} and {{TAG\|ENCUT}}}}

	Description: {{TAG\|NGZ}} sets the number of grid points in the FFT-grid along the third lattice vector.		Description: {{TAG\|NGZ}} sets the number of grid points in the FFT grid along the third lattice vector.
	----		----
	By default {{TAG\|NGZ}} is set in accordance with the requested "precision"-mode ({{TAG\|PREC}}) and the plane wave kinetic energy cutoff {{TAG\|ENCUT}}:		By default {{TAG\|NGZ}} is set in accordance with the requested "precision" mode ({{TAG\|PREC}}) and the plane wave kinetic energy cutoff {{TAG\|ENCUT}}:

	::{\| cellpadding="5" cellspacing="0" border="1"		::{\| cellpadding="5" cellspacing="0" border="1"
	\|{{TAG\|PREC}} \|\| {{TAG\|NGZ}}		\|{{TAG\|PREC}} \|\| {{TAG\|NGZ}}
	\|-		\|-
	\| Normal \|\| 3/2×G<~~sub~~>cut</~~sub~~>		\| Normal \|\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| Single \|\| 3/2×G<~~sub~~>cut</~~sub~~>		\| Single (VASP.5) \|\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| ~~Accurate~~ \|\| 2×G<~~sub~~>cut</~~sub~~>		\| Single (VASP.6) \|\| 2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| ~~Low~~ \|\| 3/2×G<~~sub~~>cut</~~sub~~>		\| SingleN (VASP.6) \|\| 3/2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| ~~Medium~~ \|\| 3/2×G<~~sub~~>cut</~~sub~~>		\| Accurate \|\| 2×<math>G_{\rm cut}</math>
	\|-		\|-
	\| High \|\| 2×G<~~sub~~>cut</~~sub~~>		\| Low \|\| 3/2×<math>G_{\rm cut}</math>
			\|-
			\| Medium \|\| 3/2×<math>G_{\rm cut}</math>
			\|-
			\| High \|\| 2×<math>G_{\rm cut}</math>
	\|}		\|}
	where		where
	:<math>E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2</math>		:<math>E_{\rm cut}=\frac{\hbar^2}{2m_e}G_{\rm cut}^2</math>
	with E<~~sub~~>cut</~~sub~~>={{TAG\|ENCUT}}.		with <math>E_{\rm cut}</math>={{TAG\|ENCUT}}.

	Alternatively {{TAG\|NGZ}} ~~may~~ be set to a specific value in the {{FILE\|INCAR}} file.		Alternatively, {{TAG\|NGZ}} can be set to a specific value in the {{FILE\|INCAR}} file.

	== Related tags and articles ==		== Related tags and articles ==

Karsai: /* Related tags and articles */

2022-04-08T14:48:40Z

Huebsch at 15:00, 6 April 2022

2022-04-06T15:00:27Z

← Older revision		Revision as of 15:00, 6 April 2022
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	Alternatively {{TAG\|NGZ}} may be set to a specific value in the {{FILE\|INCAR}} file.		Alternatively {{TAG\|NGZ}} may be set to a specific value in the {{FILE\|INCAR}} file.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|NGX}},		{{TAG\|NGX}},
	{{TAG\|NGY}},		{{TAG\|NGY}},
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	----		----

	[[Category:INCAR]][[Category:Electronic ~~Minimization]][[Category:Electronic Minimization Methods~~]]		[[Category:INCAR]][[Category:Electronic minimization]]

Karsai at 10:34, 19 April 2019

2019-04-19T10:34:09Z

← Older revision		Revision as of 10:34, 19 April 2019
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	{{sc\|NGZ\|Examples\|Examples that use this tag}}		{{sc\|NGZ\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]]

Karsai at 11:15, 3 March 2019

2019-03-03T11:15:15Z

← Older revision		Revision as of 11:15, 3 March 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]]

Karsai at 10:45, 20 March 2017

2017-03-20T10:45:51Z

← Older revision		Revision as of 10:45, 20 March 2017
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	{{TAG\|ENMAX}}		{{TAG\|ENMAX}}

			{{sc\|NGZ\|Examples\|Examples that use this tag}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

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

← Older revision		Revision as of 07:50, 17 October 2023
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	{{TAG\|PREC}},		{{TAG\|PREC}},
	{{TAG\|ENCUT}},		{{TAG\|ENCUT}},
	{{TAG\|ENAUG~~}},~~		{{TAG\|ENAUG}}
	~~{{TAG\|ENMAX~~}}

	{{sc\|NGZ\|Examples\|Examples that use this tag}}		{{sc\|NGZ\|Examples\|Examples that use this tag}}

← Older revision		Revision as of 14:48, 8 April 2022
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	----		----

	[[Category:INCAR]][[Category:Electronic minimization]]		[[Category:INCAR tag]][[Category:Electronic minimization]]