MIXPRE - Revision history

Huebsch at 14:49, 17 October 2024

2024-10-17T14:49:56Z

← Older revision		Revision as of 14:49, 17 October 2024
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	{{sc\|MIXPRE\|Examples\|Examples that use this tag}}		{{sc\|MIXPRE\|Examples\|Examples that use this tag}}
	~~----~~

	[[Category:INCAR tag~~]][[Category:Electronic minimization~~]][[Category:Density mixing]]		[[Category:INCAR tag]][[Category:Density mixing]]

2022-04-08T14:46:10Z

2022-04-06T14:31:47Z

← Older revision		Revision as of 14:31, 6 April 2022
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	----		----

	[[Category:INCAR]][[Category:Electronic ~~Minimization~~]][[Category:Density ~~Mixing~~]]		[[Category:INCAR]][[Category:Electronic minimization]][[Category:Density mixing]]

2022-04-06T14:27:04Z

← Older revision		Revision as of 14:27, 6 April 2022
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	:with <math>B</math>={{TAG\|BMIX}}.		:with <math>B</math>={{TAG\|BMIX}}.

	The preconditioning is done only on the total charge density (i.e. up+down component) and not on the magnetization charge density (i.e. up-down component). ~~Up to now we have found that~~ introduction of a metric always improves the convergence speed. The best choice is {{TAG\|MIXPRE}}=1 (i.e. the default).		The preconditioning is done only on the total charge density (i.e. up+down component) and not on the magnetization charge density (i.e. up-down component). In our experience, the introduction of a metric always improves the convergence speed. The best choice is {{TAG\|MIXPRE}}=1 (i.e. the default).

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|IMIX}},		{{TAG\|IMIX}},
	{{TAG\|INIMIX}},		{{TAG\|INIMIX}},

2019-05-10T09:15:07Z

← Older revision		Revision as of 09:15, 10 May 2019
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	----		----

	[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Mixing]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Density Mixing]]

2019-04-19T10:27:21Z

← Older revision		Revision as of 10:27, 19 April 2019
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	{{sc\|MIXPRE\|Examples\|Examples that use this tag}}		{{sc\|MIXPRE\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Mixing]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Mixing]]

2019-03-07T11:13:30Z

← Older revision		Revision as of 11:13, 7 March 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR]][[Category:Mixing]]		[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Mixing]]

2017-03-20T10:39:16Z

← Older revision		Revision as of 10:39, 20 March 2017
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	{{TAG\|AMIN}},		{{TAG\|AMIN}},
	{{TAG\|WC}}		{{TAG\|WC}}

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

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

2011-02-08T16:15:59Z

← Older revision		Revision as of 16:15, 8 February 2011
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	::<math>P\left(G\right)=1+\frac{B^2}{G^2}</math>		::<math>P\left(G\right)=1+\frac{B^2}{G^2}</math>
	:with <math>B</math>={{TAG\|BMIX}}.		:with <math>B</math>={{TAG\|BMIX}}.

			The preconditioning is done only on the total charge density (i.e. up+down component) and not on the magnetization charge density (i.e. up-down component). Up to now we have found that introduction of a metric always improves the convergence speed. The best choice is {{TAG\|MIXPRE}}=1 (i.e. the default).

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

2011-02-08T15:31:05Z

@@ Line 3: / Line 3: @@
 Description: {{TAG|MIXPRE}} specifies the metric in the Broyden mixing scheme({{TAG|IMIX}}=4).
 ----
 == Related Tags and Sections ==
 {{TAG|IMIX}},

← Older revision		Revision as of 14:46, 8 April 2022
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	----		----

	[[Category:INCAR]][[Category:Electronic minimization]][[Category:Density mixing]]		[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Density mixing]]