IPEAD - Revision history

Miranda.henrique at 11:23, 14 November 2022

2022-11-14T11:23:07Z

← Older revision		Revision as of 11:23, 14 November 2022
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	Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', \|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), and the derivative of the polarization w.r.t. the orbitals, δ'''P'''/δ&lang;ψ<sub>n'''k'''</sub>\| for ({{TAG\|LCALCEPS}}=.TRUE., or {{TAG\|EFIELD_PEAD}}≠'''0''').		Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', \|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), and the derivative of the polarization w.r.t. the orbitals, δ'''P'''/δ&lang;ψ<sub>n'''k'''</sub>\| for ({{TAG\|LCALCEPS}}=.TRUE., or {{TAG\|EFIELD_PEAD}}≠'''0''').
	----		----
			A central finite differences formula or order {{TAG\|IPEAD}} is used to compute the first-order derivative of the cell-periodic part of the orbitals w.r.t. '''k'''.
			The coefficients for the different orders can be found [https://en.wikipedia.org/wiki/Finite_difference_coefficient#Central_finite_difference here].
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPEAD}},		{{TAG\|LPEAD}},

Karsai at 07:58, 19 July 2022

2022-07-19T07:58:20Z

← Older revision		Revision as of 07:58, 19 July 2022
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	----		----

	[[Category:INCAR tag]][[Category:Dielectric ~~Properties~~]][[Category:Berry phases]]		[[Category:INCAR tag]][[Category:Linear response]][[Category:Dielectric properties]][[Category:Berry phases]]

Karsai at 14:23, 8 April 2022

2022-04-08T14:23:34Z

← Older revision		Revision as of 14:23, 8 April 2022
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	Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', \|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), and the derivative of the polarization w.r.t. the orbitals, δ'''P'''/δ&lang;ψ<sub>n'''k'''</sub>\| for ({{TAG\|LCALCEPS}}=.TRUE., or {{TAG\|EFIELD_PEAD}}≠'''0''').		Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', \|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), and the derivative of the polarization w.r.t. the orbitals, δ'''P'''/δ&lang;ψ<sub>n'''k'''</sub>\| for ({{TAG\|LCALCEPS}}=.TRUE., or {{TAG\|EFIELD_PEAD}}≠'''0''').
	----		----
	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|LPEAD}},		{{TAG\|LPEAD}},
	{{TAG\|LCALCEPS}},		{{TAG\|LCALCEPS}},
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	{{sc\|IPEAD\|Examples\|Examples that use this tag}}		{{sc\|IPEAD\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Dielectric Properties]][[Category:Berry phases]]		[[Category:INCAR tag]][[Category:Dielectric Properties]][[Category:Berry phases]]

Karsai at 13:52, 8 March 2019

2019-03-08T13:52:59Z

← Older revision		Revision as of 13:52, 8 March 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Berry phases]]		[[Category:INCAR]][[Category:Dielectric Properties]][[Category:Berry phases]]

Karsai at 09:58, 20 March 2017

2017-03-20T09:58:08Z

← Older revision		Revision as of 09:58, 20 March 2017
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	{{TAG\|EFIELD_PEAD}},		{{TAG\|EFIELD_PEAD}},
	[[Berry_phases_and_finite_electric_fields\|Berry phases and finite electric fields]]		[[Berry_phases_and_finite_electric_fields\|Berry phases and finite electric fields]]

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

	[[Category:INCAR]][[Category:Berry phases]]		[[Category:INCAR]][[Category:Berry phases]]

Mmars at 18:31, 20 March 2011

2011-03-20T18:31:00Z

← Older revision		Revision as of 18:31, 20 March 2011
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	{{TAGDEF\|IPEAD\|1 {{!}} 2 {{!}} 3 {{!}} 4\|4}}		{{TAGDEF\|IPEAD\|1 {{!}} 2 {{!}} 3 {{!}} 4\|4}}

	Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', \|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), and the derivative of the polarization w.r.t. the orbitals, δ'''P'''/δ&lang;ψ<sub>n'''k'''</sub>\| ({{TAG\|LCALCEPS}}=.TRUE., or {{TAG\|EFIELD_PEAD}}≠'''0''').		Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', \|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), and the derivative of the polarization w.r.t. the orbitals, δ'''P'''/δ&lang;ψ<sub>n'''k'''</sub>\| for ({{TAG\|LCALCEPS}}=.TRUE., or {{TAG\|EFIELD_PEAD}}≠'''0''').
	----		----
	== Related Tags and Sections ==		== Related Tags and Sections ==

Mmars at 18:09, 20 March 2011

2011-03-20T18:09:03Z

← Older revision		Revision as of 18:09, 20 March 2011
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	{{TAGDEF\|IPEAD\|1 {{!}} 2 {{!}} 3 {{!}} 4\|4}}		{{TAGDEF\|IPEAD\|1 {{!}} 2 {{!}} 3 {{!}} 4\|4}}

	Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''' in the ''~~PEAD~~'' ~~approach~~.		Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', \|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), and the derivative of the polarization w.r.t. the orbitals, δ'''P'''/δ&lang;ψ<sub>n'''k'''</sub>\| ({{TAG\|LCALCEPS}}=.TRUE., or {{TAG\|EFIELD_PEAD}}≠'''0''').
	----		----
	~~\|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), or~~

	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|LPEAD}},		{{TAG\|LPEAD}},

Mmars at 18:02, 20 March 2011

2011-03-20T18:02:27Z

← Older revision		Revision as of 18:02, 20 March 2011
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	{{TAGDEF\|IPEAD\|1 {{!}} 2 {{!}} 3 {{!}} 4\|4}}		{{TAGDEF\|IPEAD\|1 {{!}} 2 {{!}} 3 {{!}} 4\|4}}

	Description:		Description: {{TAG\|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''' in the ''PEAD'' approach.
	----		----
			\|∇<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG\|LPEAD}}=.TRUE.), or

	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|LPEAD}},		{{TAG\|LPEAD}},

Mmars: /* Related Tags and Sections */

2011-03-20T17:52:57Z

Related Tags and Sections

← Older revision		Revision as of 17:52, 20 March 2011
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	{{TAG\|LCALCEPS}},		{{TAG\|LCALCEPS}},
	{{TAG\|EFIELD_PEAD}},		{{TAG\|EFIELD_PEAD}},
	~~{{TAG\|IPEAD}},~~
	[[Berry_phases_and_finite_electric_fields\|Berry phases and finite electric fields]]		[[Berry_phases_and_finite_electric_fields\|Berry phases and finite electric fields]]
	----		----

Mmars: Created page with '{{TAGDEF|IPEAD|1 {{!}} 2 {{!}} 3 {{!}} 4|4}} Description: ---- == Related Tags and Sections == {{TAG|LPEAD}}, {{TAG|LCALCEPS}}, {{TAG|EFIELD_PEAD}}, {{TAG|IPEAD}}, [[Berry_phase…'

2011-03-20T17:52:37Z

Created page with '{{TAGDEF|IPEAD|1 {{!}} 2 {{!}} 3 {{!}} 4|4}} Description: ---- == Related Tags and Sections == {{TAG|LPEAD}}, {{TAG|LCALCEPS}}, {{TAG|EFIELD_PEAD}}, {{TAG|IPEAD}}, [[Berry_phase…'

New page

{{TAGDEF|IPEAD|1 {{!}} 2 {{!}} 3 {{!}} 4|4}}

Description:
----
== Related Tags and Sections ==
{{TAG|LPEAD}},
{{TAG|LCALCEPS}},
{{TAG|EFIELD_PEAD}},
{{TAG|IPEAD}},
[[Berry_phases_and_finite_electric_fields|Berry phases and finite electric fields]]
----
[[The_VASP_Manual|Contents]]

[[Category:INCAR]][[Category:Berry phases]]