MIXPRE

MIXPRE = 0 | 1 | 2 | 3
Default: MIXPRE = 1 

Description: MIXPRE specifies the metric in the Broyden mixing scheme(IMIX=4).

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• MIXPRE=0

No preconditioning, metric=1

• MIXPRE=1

"Inverse Kerker" metric with automatically determined BMIX (determined in such a way that the variation of the preconditioning weights covers a range of a factor 20)

• MIXPRE=2

"Inverse Kerker" metric with automatically determined BMIX (determined in such a way that the variation of the preconditioning weights covers a range of a factor 200)

• MIXPRE=3 (implemented for test purposes; not recommended)

"Inverse Kerker" metric with BMIX from INCAR, the weights for the metric are given by

$P\left(G\right)=1+{\frac {B^{2}}{G^{2}}}$

with $B$=BMIX.

Related Tags and Sections

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

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