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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:
- 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)