AMIN
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
- [math]\displaystyle{ \max\left(\frac{AG^2}{G^2+B^2},A_{\rm min}\right), }[/math]
where [math]\displaystyle{ A }[/math]=AMIX, [math]\displaystyle{ B }[/math]=BMIX, and [math]\displaystyle{ A_{\rm min} }[/math]=AMIN.
Related tags and articles
IMIX, INIMIX, MAXMIX, AMIX, BMIX, AMIX_MAG, BMIX_MAG, MIXPRE, WC