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# INIMIX

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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:

• INIMIX=0
Linear mixing according to the setting of AMIX
• INIMIX=1
Kerker mixing (see IMIX=1) according to the settings of AMIX and BMIX.
The mixed density is given by
${\displaystyle \rho _{{{\rm {mix}}}}\left(G\right)=\rho _{{{\rm {in}}}}\left(G\right)+A{\frac {G^{2}}{G^{2}+B^{2}}}{\Bigl (}\rho _{{{\rm {out}}}}\left(G\right)-\rho _{{{\rm {in}}}}\left(G\right){\Bigr )}}$
with ${\displaystyle A}$ =AMIX and ${\displaystyle B}$ =BMIX
• INIMIX=2
No mixing (equal to INIMIX=0 and AMIX=1, not recommended)