Category:Berry phases - Revision history

Singraber at 08:14, 24 October 2025

2025-10-24T08:14:30Z

← Older revision		Revision as of 08:14, 24 October 2025
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	The polarization in a periodic system can be computed using the [[Berry_phases_and_finite_electric_fields#Modern_Theory_of_Polarization\| berry phase formulation of the polarization]] (often referred to as the modern theory of polarization). The calculation of the polarization is activated using {{TAG\|LBERRY}}. To compute the three components of the polarization vector, we recommend using {{~~TAGO~~\|LCALCPOL}}.		The polarization in a periodic system can be computed using the [[Berry_phases_and_finite_electric_fields#Modern_Theory_of_Polarization\| berry phase formulation of the polarization]] (often referred to as the modern theory of polarization). The calculation of the polarization is activated using {{TAG\|LBERRY}}. To compute the three components of the polarization vector, we recommend using {{TAG\|LCALCPOL}}.

	With a method to compute the polarization, one can compute the ground state with a [[Berry_phases_and_finite_electric_fields#Self-consistent_response_to_finite_electric_fields\| finite electric field]] applied to the system.		With a method to compute the polarization, one can compute the ground state with a [[Berry_phases_and_finite_electric_fields#Self-consistent_response_to_finite_electric_fields\| finite electric field]] applied to the system.

Miranda.henrique at 14:55, 6 February 2024

2024-02-06T14:55:35Z

← Older revision		Revision as of 14:55, 6 February 2024
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	The polarization in a periodic system can be computed using the [[Berry_phases_and_finite_electric_fields#Modern_Theory_of_Polarization\| berry phase formulation of the polarization]] (often referred to as the modern theory of polarization). The calculation of the polarization is activated using {{TAG\|LBERRY}}. To compute the three components of the polarization vector, we recommend using {{TAGO\|LCALCPOL}}.		The polarization in a periodic system can be computed using the [[Berry_phases_and_finite_electric_fields#Modern_Theory_of_Polarization\| berry phase formulation of the polarization]] (often referred to as the modern theory of polarization). The calculation of the polarization is activated using {{TAG\|LBERRY}}. To compute the three components of the polarization vector, we recommend using {{TAGO\|LCALCPOL}}.

	With a method to compute the polarization, we can compute the ground state with a [[~~Berry_phases_and_finite_electric_fields#~~Berry_phases_and_finite_electric_fields#Self-consistent_response_to_finite_electric_fields\| finite electric field]] applied to the system.		With a method to compute the polarization, one can compute the ground state with a [[Berry_phases_and_finite_electric_fields#Self-consistent_response_to_finite_electric_fields\| finite electric field]] applied to the system.

	Finally, by applying a small electric field {{TAG\|EFIELD_PEAD}} along the three cartesian directions and computing the polarization, forces, and stress tensor it is possible to [[Berry_phases_and_finite_electric_fields#Response_properties \| ~~obtain the~~ dielectric tensor, ~~the born~~-effective charges, and ~~the~~ piezoelectric tensor]]. These calculations can be automated inside VASP using {{TAG\|LCALCEPS}}.		Finally, by applying a small electric field {{TAG\|EFIELD_PEAD}} along the three cartesian directions and computing the polarization, forces, and stress tensor it is possible to obtain [[Berry_phases_and_finite_electric_fields#Response_properties \| dielectric tensor, Born-effective charges, and piezoelectric tensor]] respectively.
			These calculations can be automated inside VASP using {{TAG\|LCALCEPS}}.


	[[Category:VASP\|Berry phases]][[Category:Linear response]][[Category:Dielectric properties]]		[[Category:VASP\|Berry phases]][[Category:Linear response]][[Category:Dielectric properties]]

Miranda.henrique at 14:38, 6 February 2024

2024-02-06T14:38:30Z

← Older revision		Revision as of 14:38, 6 February 2024
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	~~== Theory ==~~		The polarization in a periodic system can be computed using the [[Berry_phases_and_finite_electric_fields#Modern_Theory_of_Polarization\| berry phase formulation of the polarization]] (often referred to as the modern theory of polarization). The calculation of the polarization is activated using {{TAG\|LBERRY}}. To compute the three components of the polarization vector, we recommend using {{TAGO\|LCALCPOL}}.

	*Berry phases and finite electric fields: {{TAG\|~~Berry phases and~~ finite electric ~~fields}}~~.		With a method to compute the polarization, we can compute the ground state with a [[Berry_phases_and_finite_electric_fields#Berry_phases_and_finite_electric_fields#Self-consistent_response_to_finite_electric_fields\| finite electric field]] applied to the system.

	~~== How to ==~~		Finally, by applying a small electric field {{TAG\|EFIELD_PEAD}} along the three cartesian directions and computing the polarization, forces, and stress tensor it is possible to [[Berry_phases_and_finite_electric_fields#Response_properties \| obtain the dielectric tensor, the born-effective charges, and the piezoelectric tensor]]. These calculations can be automated inside VASP using {{TAG\|LCALCEPS}}.

	*Berry phases and finite electric ~~fields:~~ {{TAG\|~~LBERRY~~}}, {{TAG\|LCALCEPS}}.

	~~----~~


	[[Category:VASP\|Berry phases]][[Category:Linear response]][[Category:Dielectric properties]]		[[Category:VASP\|Berry phases]][[Category:Linear response]][[Category:Dielectric properties]]

Karsai at 08:00, 19 July 2022

2022-07-19T08:00:46Z

← Older revision		Revision as of 08:00, 19 July 2022
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	[[Category:VASP\|Berry phases]][[Category:Dielectric ~~Properties~~]]		[[Category:VASP\|Berry phases]][[Category:Linear response]][[Category:Dielectric properties]]

Karsai at 13:58, 8 March 2019

2019-03-08T13:58:28Z

← Older revision		Revision as of 13:58, 8 March 2019
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	~~All tags and articles that deal with Berry phase calculations are members of this category.~~		== Theory ==
	== ~~Theoretical Background~~ ==

	~~A description of the theory of~~ Berry phases ~~is given here~~: {{TAG\|Berry phases and finite electric fields}}.		*Berry phases and finite electric fields: {{TAG\|Berry phases and finite electric fields}}.

	== How to ==		== How to ==

			*Berry phases and finite electric fields: {{TAG\|LBERRY}}, {{TAG\|LCALCEPS}}.

	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:VASP\|Berry phases]][[Category:Dielectric Properties]]		[[Category:VASP\|Berry phases]][[Category:Dielectric Properties]]

Karsai at 14:22, 21 February 2019

2019-02-21T14:22:19Z

← Older revision		Revision as of 14:22, 21 February 2019
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	All tags and articles that deal with Berry phase calculations ~~and the PEAD~~ are members of this category.		All tags and articles that deal with Berry phase calculations are members of this category.
			== Theoretical Background ==

			A description of the theory of Berry phases is given here: {{TAG\|Berry phases and finite electric fields}}.

			== How to ==
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:VASP\|Berry phases]][[Category:Dielectric Properties]]		[[Category:VASP\|Berry phases]][[Category:Dielectric Properties]]

Karsai at 14:17, 21 February 2019

2019-02-21T14:17:14Z

← Older revision		Revision as of 14:17, 21 February 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:VASP\|Berry phases]]		[[Category:VASP\|Berry phases]][[Category:Dielectric Properties]]

Mmars: Created page with 'All tags and articles that deal with Berry phase calculations and the PEAD are members of this category. ---- Contents Berry phases'

2011-03-03T18:45:25Z

Created page with 'All tags and articles that deal with Berry phase calculations and the PEAD are members of this category. ---- Contents Berry phases'

New page

All tags and articles that deal with Berry phase calculations and the PEAD are members of this category.

----
[[The_VASP_Manual|Contents]]

[[Category:VASP|Berry phases]]

← Older revision		Revision as of 14:55, 6 February 2024
Line 1:		Line 1:
	The polarization in a periodic system can be computed using the [[Berry_phases_and_finite_electric_fields#Modern_Theory_of_Polarization\| berry phase formulation of the polarization]] (often referred to as the modern theory of polarization). The calculation of the polarization is activated using {{TAG\|LBERRY}}. To compute the three components of the polarization vector, we recommend using {{TAGO\|LCALCPOL}}.		The polarization in a periodic system can be computed using the [[Berry_phases_and_finite_electric_fields#Modern_Theory_of_Polarization\| berry phase formulation of the polarization]] (often referred to as the modern theory of polarization). The calculation of the polarization is activated using {{TAG\|LBERRY}}. To compute the three components of the polarization vector, we recommend using {{TAGO\|LCALCPOL}}.

	With a method to compute the polarization, we can compute the ground state with a [[~~Berry_phases_and_finite_electric_fields#~~Berry_phases_and_finite_electric_fields#Self-consistent_response_to_finite_electric_fields\| finite electric field]] applied to the system.		With a method to compute the polarization, one can compute the ground state with a [[Berry_phases_and_finite_electric_fields#Self-consistent_response_to_finite_electric_fields\| finite electric field]] applied to the system.

	Finally, by applying a small electric field {{TAG\|EFIELD_PEAD}} along the three cartesian directions and computing the polarization, forces, and stress tensor it is possible to [[Berry_phases_and_finite_electric_fields#Response_properties \| ~~obtain the~~ dielectric tensor, ~~the born~~-effective charges, and ~~the~~ piezoelectric tensor]]. These calculations can be automated inside VASP using {{TAG\|LCALCEPS}}.		Finally, by applying a small electric field {{TAG\|EFIELD_PEAD}} along the three cartesian directions and computing the polarization, forces, and stress tensor it is possible to obtain [[Berry_phases_and_finite_electric_fields#Response_properties \| dielectric tensor, Born-effective charges, and piezoelectric tensor]] respectively.
			These calculations can be automated inside VASP using {{TAG\|LCALCEPS}}.


	[[Category:VASP\|Berry phases]][[Category:Linear response]][[Category:Dielectric properties]]		[[Category:VASP\|Berry phases]][[Category:Linear response]][[Category:Dielectric properties]]