LANGEVIN GAMMA L - Revision history

Ftran at 08:29, 20 October 2023

2023-10-20T08:29:14Z

← Older revision		Revision as of 08:29, 20 October 2023
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	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Thermostats]]		[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Thermostats]]

Huebsch at 14:00, 7 April 2022

2022-04-07T14:00:34Z

← Older revision		Revision as of 14:00, 7 April 2022
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	{{DISPLAYTITLE:LANGEVIN_GAMMA_L}}		{{DISPLAYTITLE:LANGEVIN_GAMMA_L}}{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}

	{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}

	Description: {{TAG\|LANGEVIN_GAMMA_L}} specifies the friction coefficient (in ps<sup>-1</sup>) for lattice degrees-of-freedom in case of Parrinello-Rahman dynamics (in case VASP was compiled with [[Precompiler_flags\|-Dtbdyn]]).		Description: {{TAG\|LANGEVIN_GAMMA_L}} specifies the friction coefficient (in ps<sup>-1</sup>) for lattice degrees-of-freedom in case of Parrinello-Rahman dynamics (in case VASP was compiled with [[Precompiler_flags\|-Dtbdyn]]).
	----		----
	When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.		When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.
	A fictitious mass for the lattice degrees-of-freedom has to be assigned using the {{TAG\|PMASS}}-tag.		A fictitious mass for the lattice degrees-of-freedom has to be assigned using the {{TAG\|PMASS}} tag.

	The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.		The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR tag]][[Category:Molecular ~~Dynamics~~]][[Category:Thermostats]]		[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Thermostats]]

Karsai: /* References */

2022-04-07T06:48:26Z

References

← Older revision		Revision as of 06:48, 7 April 2022
Line 27:		Line 27:
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR ~~tags~~]][[Category:Molecular Dynamics]][[Category:Thermostats]]		[[Category:INCAR tag]][[Category:Molecular Dynamics]][[Category:Thermostats]]

Karsai at 16:46, 6 April 2022

2022-04-06T16:46:56Z

← Older revision		Revision as of 16:46, 6 April 2022
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			{{DISPLAYTITLE:LANGEVIN_GAMMA_L}}

	{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}		{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}

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	The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.		The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|LANGEVIN_GAMMA}},		{{TAG\|LANGEVIN_GAMMA}},
	{{TAG\|PMASS}},		{{TAG\|PMASS}},
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Molecular Dynamics]][[Category:Thermostats]]		[[Category:INCAR tags]][[Category:Molecular Dynamics]][[Category:Thermostats]]

Karsai at 14:05, 25 June 2019

2019-06-25T14:05:20Z

← Older revision		Revision as of 14:05, 25 June 2019
Line 25:		Line 25:
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Molecular Dynamics]]		[[Category:INCAR]][[Category:Molecular Dynamics]][[Category:Thermostats]]

Karsai at 17:18, 15 February 2019

2019-02-15T17:18:20Z

← Older revision		Revision as of 17:18, 15 February 2019
Line 25:		Line 25:
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Dynamics]]		[[Category:INCAR]][[Category:Molecular Dynamics]]

Karsai: /* Related Tags and Sections */

2017-03-20T10:05:32Z

Related Tags and Sections

← Older revision		Revision as of 10:05, 20 March 2017
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	{{TAG\|PMASS}},		{{TAG\|PMASS}},
	{{TAG\|MDALGO}}		{{TAG\|MDALGO}}

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

	== References ==		== References ==

Vaspmaster at 13:49, 28 April 2014

2014-04-28T13:49:00Z

← Older revision		Revision as of 13:49, 28 April 2014
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	{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}		{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}

	Description: {{TAG\|LANGEVIN_GAMMA_L}} specifies the friction coefficient (in ps<sup>-1</sup>) for lattice degrees-of-freedom in case of Parrinello-Rahman dynamics (in case VASP was compiled with -Dtbdyn).		Description: {{TAG\|LANGEVIN_GAMMA_L}} specifies the friction coefficient (in ps<sup>-1</sup>) for lattice degrees-of-freedom in case of Parrinello-Rahman dynamics (in case VASP was compiled with [[Precompiler_flags\|-Dtbdyn]]).
	----		----
	When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.		When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.

Vaspmaster at 08:50, 25 April 2014

2014-04-25T08:50:31Z

← Older revision		Revision as of 08:50, 25 April 2014
Line 4:		Line 4:
	----		----
	When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.		When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.
			A fictitious mass for the lattice degrees-of-freedom has to be assigned using the {{TAG\|PMASS}}-tag.

	The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.		The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.

Vaspmaster: /* Related Tags and Sections */

2014-04-25T08:48:19Z

Related Tags and Sections

← Older revision		Revision as of 08:48, 25 April 2014
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|LANGEVIN_GAMMA}},		{{TAG\|LANGEVIN_GAMMA}},
			{{TAG\|PMASS}},
	{{TAG\|MDALGO}}		{{TAG\|MDALGO}}

← Older revision		Revision as of 14:00, 7 April 2022
Line 1:		Line 1:
	{{DISPLAYTITLE:LANGEVIN_GAMMA_L}}		{{DISPLAYTITLE:LANGEVIN_GAMMA_L}}{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}

	{{TAGDEF\|LANGEVIN_GAMMA_L\|[Real]\|0}}

	Description: {{TAG\|LANGEVIN_GAMMA_L}} specifies the friction coefficient (in ps<sup>-1</sup>) for lattice degrees-of-freedom in case of Parrinello-Rahman dynamics (in case VASP was compiled with [[Precompiler_flags\|-Dtbdyn]]).		Description: {{TAG\|LANGEVIN_GAMMA_L}} specifies the friction coefficient (in ps<sup>-1</sup>) for lattice degrees-of-freedom in case of Parrinello-Rahman dynamics (in case VASP was compiled with [[Precompiler_flags\|-Dtbdyn]]).
	----		----
	When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.		When running ''NpT'' simulations with a [[MDALGO#LangevinEOM\|Langevin thermostat]]<ref name="Allen91"/> ({{TAG\|MDALGO}}=3), using the method of [[MDALGO#ParrinelloRahman\|Parrinello and Rahman]],<ref name="Parrinello80"/><ref name="Parrinello81"/> the friction coefficient for lattice degrees-of-freedom have to be specified (in ps<sup>-1</sup>) by means of the {{TAG\|LANGEVIN_GAMMA_L}}-tag.
	A fictitious mass for the lattice degrees-of-freedom has to be assigned using the {{TAG\|PMASS}}-tag.		A fictitious mass for the lattice degrees-of-freedom has to be assigned using the {{TAG\|PMASS}} tag.

	The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.		The friction coefficients γ for the atomic degrees-of-freedom are specified using the {{TAG\|LANGEVIN_GAMMA}}-tag.
Line 27:		Line 25:
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR tag]][[Category:Molecular ~~Dynamics~~]][[Category:Thermostats]]		[[Category:INCAR tag]][[Category:Molecular dynamics]][[Category:Thermostats]]