M CONSTR - Revision history

Karsai: /* Related Tags and Sections */

2022-04-08T14:45:11Z

Related Tags and Sections

← Older revision		Revision as of 14:45, 8 April 2022
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	For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.		For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|I_CONSTRAINED_M}},		{{TAG\|I_CONSTRAINED_M}},
	{{TAG\|LAMBDA}},		{{TAG\|LAMBDA}},
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	----		----

	[[Category:INCAR]][[Category:Magnetism]]		[[Category:INCAR tag]][[Category:Magnetism]]

2019-04-19T07:49:22Z

← Older revision		Revision as of 07:49, 19 April 2019
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	{{sc\|M_CONSTR\|Examples\|Examples that use this tag}}		{{sc\|M_CONSTR\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Magnetism~~]][[Category:Site resolved quantities~~]]		[[Category:INCAR]][[Category:Magnetism]]

2017-03-20T10:36:39Z

← Older revision		Revision as of 10:36, 20 March 2017
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	{{TAG\|LNONCOLLINEAR}}		{{TAG\|LNONCOLLINEAR}}

	~~== Example Calculations using this Tag ==~~		{{sc\|M_CONSTR\|Examples\|Examples that use this tag}}
	{{~~TAG~~\|~~constraining local magnetic moments}}, {{TAG~~\|~~Constraining the local magnetic moments~~}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Magnetism]][[Category:Site resolved quantities]]		[[Category:INCAR]][[Category:Magnetism]][[Category:Site resolved quantities]]

2017-02-24T11:08:21Z

Example Calculations using this Tag

← Older revision		Revision as of 11:08, 24 February 2017
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	== Example Calculations using this Tag ==		== Example Calculations using this Tag ==
	{{TAG\|constraining local magnetic moments}}		{{TAG\|constraining local magnetic moments}}, {{TAG\|Constraining the local magnetic moments}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Magnetism]][[Category:Site resolved quantities]]		[[Category:INCAR]][[Category:Magnetism]][[Category:Site resolved quantities]]

2017-02-15T15:31:05Z

← Older revision		Revision as of 15:31, 15 February 2017
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	{{TAG\|RWIGS}},		{{TAG\|RWIGS}},
	{{TAG\|LNONCOLLINEAR}}		{{TAG\|LNONCOLLINEAR}}

			== Example Calculations using this Tag ==
			{{TAG\|constraining local magnetic moments}}
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Magnetism]][[Category:Site resolved quantities]]		[[Category:INCAR]][[Category:Magnetism]][[Category:Site resolved quantities]]

2011-02-16T17:38:40Z

← Older revision		Revision as of 17:38, 16 February 2011
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	{{TAG\|M_CONSTR}}= ... 0 0 0 ...		{{TAG\|M_CONSTR}}= ... 0 0 0 ...

	for a certain ion is equivalent to imposing no ~~constraint to~~ the integrated local magnetic moment at this ionic site.		for a certain ion is equivalent to imposing no constraints on the integrated local magnetic moment at this ionic site.

	For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.		For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.

2011-02-16T17:37:39Z

← Older revision		Revision as of 17:37, 16 February 2011
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	{{TAG\|M_CONSTR}}= ... 0 0 0 ...		{{TAG\|M_CONSTR}}= ... 0 0 0 ...

	for a certain ion is equivalent to imposing no ~~constraints~~.		for a certain ion is equivalent to imposing no constraint to the integrated local magnetic moment at this ionic site.

	For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.		For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.

2011-02-16T17:36:29Z

← Older revision		Revision as of 17:36, 16 February 2011
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	Description: {{TAG\|M_CONSTR}} specifies the desired local magnetic moment (size and/or direction) for the constrained local moments approach.		Description: {{TAG\|M_CONSTR}} specifies the desired local magnetic moment (size and/or direction) for the constrained local moments approach.
	----		----
	The {{TAG\|M_CONSTR}} tag ~~specified~~ the desired size and/or direction of the integrated local moments in cartesian coordinates (3 coordinates must be specified for ~~each ion)~~.		The {{TAG\|M_CONSTR}} tag sets the desired size and/or direction of the integrated local magnetic moments in cartesian coordinates.

			For each ion 3 coordinates must be specified, i.e., for a system of ''N'' ions

			{{TAG\|M_CONSTR}}= M_1x M_1y M_1z M_2x M_2y M_2z .... M_Nx M_Ny M_Nz

	For {{TAG\|I_CONSTRAINED_M}}=1 the norm of this vector is meaningless since only the direction will be constrained. For {{TAG\|I_CONSTRAINED_M}}=2 both the norm as well as the direction of the moments specified by means of {{TAG\|M_CONSTR}} are subject to constraints.		For {{TAG\|I_CONSTRAINED_M}}=1 the norm of this vector is meaningless since only the direction will be constrained. For {{TAG\|I_CONSTRAINED_M}}=2 both the norm as well as the direction of the moments specified by means of {{TAG\|M_CONSTR}} are subject to constraints.

2011-02-16T17:33:45Z

← Older revision		Revision as of 17:33, 16 February 2011
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	Setting		Setting

	{{TAG\|M_CONSTR}}= ... 0 0 0 ...		{{TAG\|M_CONSTR}}= ... 0 0 0 ...

	for a certain ion is equivalent to imposing no constraints.		for a certain ion is equivalent to imposing no constraints.

2011-02-16T17:33:32Z

← Older revision		Revision as of 17:33, 16 February 2011
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	For {{TAG\|I_CONSTRAINED_M}}=1 the norm of this vector is meaningless since only the direction will be constrained. For {{TAG\|I_CONSTRAINED_M}}=2 both the norm as well as the direction of the moments specified by means of {{TAG\|M_CONSTR}} are subject to constraints.		For {{TAG\|I_CONSTRAINED_M}}=1 the norm of this vector is meaningless since only the direction will be constrained. For {{TAG\|I_CONSTRAINED_M}}=2 both the norm as well as the direction of the moments specified by means of {{TAG\|M_CONSTR}} are subject to constraints.

	Setting M_CONSTR= 0 0 0 for an ion is equivalent to imposing no constraints.		Setting

			{{TAG\|M_CONSTR}}= ... 0 0 0 ...

			for a certain ion is equivalent to imposing no constraints.

	For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.		For an explanation of the constrained local moments approach see the description of the {{TAG\|I_CONSTRAINED_M}} tag.