INIMIX: Difference between revisions

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(Created page with '{{TAGDEF|INIMIX|0 {{!}} 1 {{!}} 2|1}} Description: {{TAG|INIMIX}} determines the functional form of the initial mixing matrix in the Broyden scheme ({{TAG|IMIX}}=4). ---- The in…')
 
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:Linear mixing according to the setting of {{TAG|AMIX}}
:Linear mixing according to the setting of {{TAG|AMIX}}
*{{TAG|INIMIX}}=1
*{{TAG|INIMIX}}=1
:Kerker mixing according to the settings of {{TAG|AMIX}} and {{TAG|BMIX}}
:Kerker mixing (see {{TAG|IMIX}}=1) according to the settings of {{TAG|AMIX}} and {{TAG|BMIX}}
:The mixed density is given by
::<math>\rho_{\rm mix}\left(G\right)=\rho_{\rm in}\left(G\right)+A \frac{G^2}{G^2+B^2}\Bigl(\rho_{\rm out}\left(G\right)-\rho_{\rm in}\left(G\right)\Bigr)</math>
:with <math>A</math>={{TAG|AMIX}} and <math>B</math>={{TAG|BMIX}}
*{{TAG|INIMIX}}=2
*{{TAG|INIMIX}}=2
:No mixing (equal to {{TAG|INIMIX}}=0 and {{TAG|AMIX}}=1, not recommended)
:No mixing (equal to {{TAG|INIMIX}}=0 and {{TAG|AMIX}}=1, not recommended)

Revision as of 14:52, 8 February 2011

INIMIX = 0 | 1 | 2
Default: INIMIX = 1 

Description: INIMIX determines the functional form of the initial mixing matrix in the Broyden scheme (IMIX=4).


The initial mixing matrix might influence the convergence speed for complex situations (especially surfaces and magnetic systems), nevertheless INIMIX must not be changed from the default setting: anything which can be done with INIMIX can also be done with AMIX and BMIX, and changing AMIX and BMIX is definitely preferable.

Possible choices for INIMIX are:

Linear mixing according to the setting of AMIX
Kerker mixing (see IMIX=1) according to the settings of AMIX and BMIX
The mixed density is given by
with =AMIX and =BMIX
No mixing (equal to INIMIX=0 and AMIX=1, not recommended)

Related Tags and Sections

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


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