AMIN - Revision history

Huebsch at 14:08, 17 October 2024

2024-10-17T14:08:02Z

← Older revision		Revision as of 14:08, 17 October 2024
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	[[Category:INCAR tag~~]][[Category:Electronic minimization~~]][[Category:Density mixing]]		[[Category:INCAR tag]][[Category:Density mixing]]

Vaspmaster at 09:31, 25 June 2024

2024-06-25T09:31:26Z

← Older revision		Revision as of 09:31, 25 June 2024
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	----		----
	Kerker's initial approximation{{cite\|kerker:prb:1981}} for the charge-dielectric function is given by		Kerker's initial approximation{{cite\|kerker:prb:1981}} for the charge-dielectric function is given by
	:<math>A\~~times\min~~\left(\frac{G^2}{G^2+B^2},A_{\rm min}\right),</math>		:<math>\max\left(\frac{AG^2}{G^2+B^2},A_{\rm min}\right),</math>
	where <math>A</math>={{TAG\|AMIX}}, <math>B</math>={{TAG\|BMIX}}, and <math>A_{\rm min}</math>={{TAG\|AMIN}}.		where <math>A</math>={{TAG\|AMIX}}, <math>B</math>={{TAG\|BMIX}}, and <math>A_{\rm min}</math>={{TAG\|AMIN}}.

Karsai at 14:07, 8 April 2022

2022-04-08T14:07:11Z

← Older revision		Revision as of 14:07, 8 April 2022
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	[[Category:INCAR]][[Category:Electronic minimization]][[Category:Density mixing]]		[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Density mixing]]

Huebsch at 10:40, 6 April 2022

2022-04-06T10:40:51Z

← Older revision		Revision as of 10:40, 6 April 2022
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	[[Category:INCAR]][[Category:Electronic ~~Minimization~~]][[Category:Density ~~Mixing~~]]		[[Category:INCAR]][[Category:Electronic minimization]][[Category:Density mixing]]

Huebsch at 18:37, 1 April 2022

2022-04-01T18:37:06Z

← Older revision		Revision as of 18:37, 1 April 2022
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	== References ==		== References ==


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

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

Huebsch at 17:17, 1 April 2022

2022-04-01T17:17:45Z

← Older revision		Revision as of 17:17, 1 April 2022
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	{{TAGDEF\|AMIN\|[real]\|min(0.1,{{TAG\|AMIX}},{{TAG\|AMIX_MAG}})}}		{{TAGDEF\|AMIN\|[real]\|min(0.1,{{TAG\|AMIX}},{{TAG\|AMIX_MAG}})}}

	Description: {{TAG\|AMIN}} specifies the minimal mixing parameter in Kerker's initial approximation{{cite\|kerker:prb:1981}} to the charge dielectric function used in the Broyden{{Cite\|bluegel:phd:1988}}{{cite\|johnson:prb:1988}}/Pulay{{cite\|pulay:cpl:1980}} mixing scheme ({{TAG\|IMIX}}=4, {{TAG\|INIMIX}}=1).		Description: {{TAG\|AMIN}} specifies the minimal mixing parameter in Kerker's initial approximation{{cite\|kerker:prb:1981}} to the charge-dielectric function used in the Broyden{{Cite\|bluegel:phd:1988}}{{cite\|johnson:prb:1988}}/Pulay{{cite\|pulay:cpl:1980}} mixing scheme ({{TAG\|IMIX}}=4, {{TAG\|INIMIX}}=1).
	----		----
	Kerker's initial approximation{{cite\|kerker:prb:1981}} for the charge dielectric function is given by		Kerker's initial approximation{{cite\|kerker:prb:1981}} for the charge-dielectric function is given by
	:<math>A\times\min\left(\frac{G^2}{G^2+B^2},A_{\rm min}\right)</math>		:<math>A\times\min\left(\frac{G^2}{G^2+B^2},A_{\rm min}\right),</math>
	where <math>A</math>={{TAG\|AMIX}}, <math>B</math>={{TAG\|BMIX}}, and <math>A_{\rm min}</math>={{TAG\|AMIN}}.		where <math>A</math>={{TAG\|AMIX}}, <math>B</math>={{TAG\|BMIX}}, and <math>A_{\rm min}</math>={{TAG\|AMIN}}.

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

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

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

Huebsch at 17:13, 1 April 2022

2022-04-01T17:13:37Z

← Older revision		Revision as of 17:13, 1 April 2022
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	{{TAGDEF\|AMIN\|[real]\|min(0.1,{{TAG\|AMIX}},{{TAG\|AMIX_MAG}})}}		{{TAGDEF\|AMIN\|[real]\|min(0.1,{{TAG\|AMIX}},{{TAG\|AMIX_MAG}})}}

	Description: {{TAG\|AMIN}} specifies the minimal mixing parameter in Kerker's~~<ref name="~~kerker:prb:~~81"/> initial approximation~~ to the charge dielectric function used in the Broyden~~<ref name="~~bluegel:~~thesis~~:~~88"/><ref name="~~johnson:prb:~~88"/>~~/Pulay~~<ref name="~~pulay:cpl:~~80"/>~~ mixing scheme ({{TAG\|IMIX}}=4, {{TAG\|INIMIX}}=1).		Description: {{TAG\|AMIN}} specifies the minimal mixing parameter in Kerker's initial approximation{{cite\|kerker:prb:1981}} to the charge dielectric function used in the Broyden{{Cite\|bluegel:phd:1988}}{{cite\|johnson:prb:1988}}/Pulay{{cite\|pulay:cpl:1980}} mixing scheme ({{TAG\|IMIX}}=4, {{TAG\|INIMIX}}=1).
	----		----
	Kerker's~~<ref name="~~kerker:prb:~~81"/> initial approximation~~ for the charge dielectric function is given by		Kerker's initial approximation{{cite\|kerker:prb:1981}} for the charge dielectric function is given by
	:<math>A\times\min\left(\frac{G^2}{G^2+B^2},A_{\rm min}\right)</math>		:<math>A\times\min\left(\frac{G^2}{G^2+B^2},A_{\rm min}\right)</math>
	where <math>A</math>={{TAG\|AMIX}}, <math>B</math>={{TAG\|BMIX}}, and <math>A_{\rm min}</math>={{TAG\|AMIN}}.		where <math>A</math>={{TAG\|AMIX}}, <math>B</math>={{TAG\|BMIX}}, and <math>A_{\rm min}</math>={{TAG\|AMIN}}.
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	== References ==		== References ==
	~~<references>~~
	~~<ref name="kerker:prb:81">[http://link.aps.org/doi/10.1103/PhysRevB.23.3082 G. P. Kerker, Phys. Rev. B 23, 3082 (1981).]</ref>~~
	~~<ref name="bluegel:thesis:88">S. Blügel, PhD Thesis, RWTH Aachen (1988).</ref>~~
	~~<ref name="johnson:prb:88">[http://link.aps.org/doi/10.1103/PhysRevB.38.12807 D. D. Johnson, Phys. Rev. B38, 12807 (1988).]</ref>~~
	~~<ref name="pulay:cpl:80">[http://dx.doi.org/10.1016/0009-2614(80)80396-4 P. Pulay, Chem. Phys. Lett. 73, 393 (1980).]</ref>~~
	~~</references>~~
	----		----
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

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

Schlipf at 09:12, 10 May 2019

2019-05-10T09:12:59Z

← Older revision		Revision as of 09:12, 10 May 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

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

Schlipf at 09:12, 10 May 2019

2019-05-10T09:12:09Z

← Older revision		Revision as of 09:12, 10 May 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

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

Karsai at 11:10, 7 March 2019

2019-03-07T11:10:00Z

← Older revision		Revision as of 11:10, 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]]