MIXPRE: Difference between revisions

Revision as of 15:31, 8 February 2011

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

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

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

Contents

@@ Line 3: / Line 3: @@
 Description: {{TAG|MIXPRE}} specifies the metric in the Broyden mixing scheme({{TAG|IMIX}}=4).
 ----
+*{{TAG|MIXPRE}}=0
+:No preconditioning, metric=1
+*{{TAG|MIXPRE}}=1
+:"Inverse Kerker" metric with automatically determined {{TAG|BMIX}} (determined in such a way that the variation of the preconditioning weights covers a range of a factor 20)
+*{{TAG|MIXPRE}}=2
+:"Inverse Kerker" metric with automatically determined {{TAG|BMIX}} (determined in such a way that the variation of the preconditioning weights covers a range of a factor 200)
+*{{TAG|MIXPRE}}=3 (implemented for test purposes; '''not''' recommended)
+:"Inverse Kerker" metric with {{TAG|BMIX}} from {{FILE|INCAR}}, the weights for the metric are given by
+::<math>P\left(G\right)=1+\frac{B^2}{G^2}</math>
+:with <math>B</math>={{TAG|BMIX}}.
 == Related Tags and Sections ==
 {{TAG|IMIX}},