AMIN

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

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

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

$A\times\min\left(\frac{G^2}{G^2+B^2},A_{\rm min}\right),$

where $A$=AMIX, $B$=BMIX, and $A_{\rm min}$=AMIN.

Related tags and articles

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

Examples that use this tag