12.18.2 Job Control

TDDFT_MI
       Perform an TDDFT(MI) calculation
TYPE:
       LOGICAL
DEFAULT:
       FALSE
OPTIONS:
       FALSE Do not perform an TDDFT(MI) calculation TRUE Perform an TDDFT(MI) calculation
RECOMMENDATION:
       False

MI_ACTIVE_FRAGMENT
       Sets the active fragment
TYPE:
       INTEGER
DEFAULT:
       NO DEFAULT
OPTIONS:
       $n$ Specify the fragment on which the TDDFT calculation is to be performed, for LEA-TDDFT(MI).
RECOMMENDATION:
       None

MI_LEA
       Controls the LEA-TDDFT(MI) methods
TYPE:
       INTEGER
DEFAULT:
       NO DEFAULT
OPTIONS:
       0 The LEA0 method 1 The LEA-Q method 2 The LEAc method
RECOMMENDATION:
       1