EPSILON - Revision history

Svijay at 09:12, 20 October 2023

2023-10-20T09:12:38Z

← Older revision		Revision as of 09:12, 20 October 2023
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	{{sc\|EPSILON\|Examples\|Examples that use this tag}}		{{sc\|EPSILON\|Examples\|Examples that use this tag}}
	----		----
	[[Category:INCAR tag]][[Category:Molecules]][[Category:~~Monopole Dipole and Quadrupole Corrections~~]]		[[Category:INCAR tag]][[Category:Molecules]][[Category:Electrostatics]]

Svijay at 10:15, 18 October 2023

2023-10-18T10:15:40Z

← Older revision		Revision as of 10:15, 18 October 2023
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	Description: {{TAG\|EPSILON}} sets the dielectric constant of the medium.		Description: {{TAG\|EPSILON}} sets the dielectric constant of the medium.
	----		----
	VASP uses this flag only to scale the calculated [[Monopole Dipole and Quadrupole corrections\|monopole and dipole corrections]]. {{TAG\|EPSILON}} defaults to 1, which is the proper value for isolated atoms and ~~molcules~~. For solids, the screening properties can and should be determined using the linear response routines of VASP (see {{TAG\|LEPSILON}} and/or {{TAG\|LCALCEPS}}). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using {{TAG\|IBRION}}=8.		VASP uses this flag only to scale the calculated [[Monopole Dipole and Quadrupole corrections\|monopole and dipole corrections]]. {{TAG\|EPSILON}} defaults to 1, which is the proper value for isolated atoms and molecules. For solids, the screening properties can and should be determined using the linear response routines of VASP (see {{TAG\|LEPSILON}} and/or {{TAG\|LCALCEPS}}). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using {{TAG\|IBRION}}=8.

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

Karsai at 14:13, 8 April 2022

2022-04-08T14:13:42Z

← Older revision		Revision as of 14:13, 8 April 2022
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	VASP uses this flag only to scale the calculated [[Monopole Dipole and Quadrupole corrections\|monopole and dipole corrections]]. {{TAG\|EPSILON}} defaults to 1, which is the proper value for isolated atoms and molcules. For solids, the screening properties can and should be determined using the linear response routines of VASP (see {{TAG\|LEPSILON}} and/or {{TAG\|LCALCEPS}}). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using {{TAG\|IBRION}}=8.		VASP uses this flag only to scale the calculated [[Monopole Dipole and Quadrupole corrections\|monopole and dipole corrections]]. {{TAG\|EPSILON}} defaults to 1, which is the proper value for isolated atoms and molcules. For solids, the screening properties can and should be determined using the linear response routines of VASP (see {{TAG\|LEPSILON}} and/or {{TAG\|LCALCEPS}}). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using {{TAG\|IBRION}}=8.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|Monopole Dipole and Quadrupole corrections}},		{{TAG\|Monopole Dipole and Quadrupole corrections}},
	{{TAG\|NELECT}},		{{TAG\|NELECT}},
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	{{sc\|EPSILON\|Examples\|Examples that use this tag}}		{{sc\|EPSILON\|Examples\|Examples that use this tag}}
	----		----
	[[Category:INCAR]][[Category:Molecules]][[Category:Monopole Dipole and Quadrupole Corrections]]		[[Category:INCAR tag]][[Category:Molecules]][[Category:Monopole Dipole and Quadrupole Corrections]]

Karsai at 16:29, 16 April 2019

2019-04-16T16:29:45Z

← Older revision		Revision as of 16:29, 16 April 2019
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	{{sc\|EPSILON\|Examples\|Examples that use this tag}}		{{sc\|EPSILON\|Examples\|Examples that use this tag}}
	----		----
	[[~~The_VASP_Manual\|Contents~~]]		[[Category:INCAR]][[Category:Molecules]][[Category:Monopole Dipole and Quadrupole Corrections]]

	[[Category:~~INCAR~~]]

Karsai at 09:50, 19 March 2017

2017-03-19T09:50:12Z

← Older revision		Revision as of 09:50, 19 March 2017
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	{{TAG\|LMONO}},		{{TAG\|LMONO}},
	{{TAG\|EFIELD}}		{{TAG\|EFIELD}}

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

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

Vaspmaster at 17:06, 10 March 2013

2013-03-10T17:06:59Z

← Older revision		Revision as of 17:06, 10 March 2013
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|Monopole Dipole and Quadrupole corrections}}		{{TAG\|Monopole Dipole and Quadrupole corrections}},
	{{TAG\|NELECT}},		{{TAG\|NELECT}},
	{{TAG\|DIPOL}},		{{TAG\|DIPOL}},

Vaspmaster at 17:04, 10 March 2013

2013-03-10T17:04:17Z

← Older revision		Revision as of 17:04, 10 March 2013
Line 3:		Line 3:
	Description: {{TAG\|EPSILON}} sets the dielectric constant of the medium.		Description: {{TAG\|EPSILON}} sets the dielectric constant of the medium.
	----		----
	VASP uses this flag only to scale the calculated monopole and dipole corrections. {{TAG\|EPSILON}} defaults to 1, which is the proper value for isolated atoms and molcules. For solids, the screening properties can and should be determined using the linear response routines of VASP (see {{TAG\|LEPSILON}} and/or {{TAG\|LCALCEPS}}). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using {{TAG\|IBRION}}=8.		VASP uses this flag only to scale the calculated [[Monopole Dipole and Quadrupole corrections\|monopole and dipole corrections]]. {{TAG\|EPSILON}} defaults to 1, which is the proper value for isolated atoms and molcules. For solids, the screening properties can and should be determined using the linear response routines of VASP (see {{TAG\|LEPSILON}} and/or {{TAG\|LCALCEPS}}). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using {{TAG\|IBRION}}=8.

	== Related Tags and Sections ==		== Related Tags and Sections ==

Vaspmaster: Created page with '{{TAGDEF|EPSILON|[real]|1}} Description: {{TAG|EPSILON}} sets the dielectric constant of the medium. ---- VASP uses this flag only to scale the calculated monopole and dipole co…'

2013-03-10T17:01:37Z

Created page with '{{TAGDEF|EPSILON|[real]|1}} Description: {{TAG|EPSILON}} sets the dielectric constant of the medium. ---- VASP uses this flag only to scale the calculated monopole and dipole co…'

New page

{{TAGDEF|EPSILON|[real]|1}}

Description: {{TAG|EPSILON}} sets the dielectric constant of the medium.
----
VASP uses this flag only to scale the calculated monopole and dipole corrections. {{TAG|EPSILON}} defaults to 1, which is the proper value for isolated atoms and molcules. For solids, the screening properties can and should be determined using the linear response routines of VASP (see {{TAG|LEPSILON}} and/or {{TAG|LCALCEPS}}). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using {{TAG|IBRION}}=8.

== Related Tags and Sections ==
{{TAG|Monopole Dipole and Quadrupole corrections}}
{{TAG|NELECT}},
{{TAG|DIPOL}},
{{TAG|IDIPOL}},
{{TAG|LDIPOL}},
{{TAG|LMONO}},
{{TAG|EFIELD}}
----
[[The_VASP_Manual|Contents]]

[[Category:INCAR]]