AMIN: Difference between revisions

From VASP Wiki
(Created page with '{{TAGDEF|AMIN|[real]}} {{DEF|AMIN|0.4|if {{TAG|ISPIN}}{{=}}1|0.1|if {{TAG|ISPIN}}{{=}}2}} Description: {{TAG|AMIN}} ---- == Related Tags and Sections == {{TAG|IMIX}}, {{TAG|INIM…')
 
No edit summary
 
(12 intermediate revisions by 5 users not shown)
Line 1: Line 1:
{{TAGDEF|AMIN|[real]}}
{{TAGDEF|AMIN|[real]|min(0.1,{{TAG|AMIX}},{{TAG|AMIX_MAG}})}}
{{DEF|AMIN|0.4|if {{TAG|ISPIN}}{{=}}1|0.1|if {{TAG|ISPIN}}{{=}}2}}


Description: {{TAG|AMIN}}
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).
----
----
== Related Tags and Sections ==
Kerker's initial approximation{{cite|kerker:prb:1981}} for the charge-dielectric function is given by
:<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}}.
 
== Related tags and articles ==
{{TAG|IMIX}},
{{TAG|IMIX}},
{{TAG|INIMIX}},
{{TAG|INIMIX}},
Line 14: Line 17:
{{TAG|MIXPRE}},
{{TAG|MIXPRE}},
{{TAG|WC}}
{{TAG|WC}}
----
[[The_VASP_Manual|Contents]]


[[Category:INCAR]][[Category:Mixing]]
{{sc|AMIN|Examples|Examples that use this tag}}
 
== References ==
 
 
[[Category:INCAR tag]][[Category:Density mixing]]

Latest revision as of 14:08, 17 October 2024

AMIN = [real]
Default: AMIN = min(0.1,AMIX,AMIX_MAG

Description: AMIN specifies the minimal mixing parameter in Kerker's initial approximation[1] to the charge-dielectric function used in the Broyden[2][3]/Pulay[4] mixing scheme (IMIX=4, INIMIX=1).


Kerker's initial approximation[1] for the charge-dielectric function is given by

where =AMIX, =BMIX, and =AMIN.

Related tags and articles

IMIX, INIMIX, MAXMIX, AMIX, BMIX, AMIX_MAG, BMIX_MAG, MIXPRE, WC

Examples that use this tag

References