$CIMINP group           (required when CIMTYP is not
NONE)
 
     This group controls a CIM calculation of the type
specified by CIMTYP in $CONTRL.  The $CIMINP input
variables can be divided into a few categories:
 
   *** The variable required by all CIM runs ***
 
SUBMTD = assigns the default method for each CIM subsystem.
         In single-level CIM calculations, SUBMTD applies
         to all CIM subsystems and no further information
         about quantum-chemistry methods used in subsystem
         calculations is needed. In order to run a
         multi-level CIM calculation (CIMTYP=SECIM or
         GSECIM only), information about subsystems treated
         with methods other than SUBMTD must be provided in
         $CIMATM (CIMTYP=SECIM) or $CIMFRG (CIMTYP=GSECIM).
         The allowed values of SUBMTD are:
 
       = NONE or HF means no post-HF calculation will be
         performed. In this case, information about methods
         used in subsystem calculations must be provided in
         $CIMATM (CIMTYP=SECIM) or $CIMFRG (CIMTYP=GSECIM)
         and at least one atom in $CIMATM or at least one
         group of atoms in $CIMFRG must be treated by the
         allowed post-HF approach.
       = MP2 means an MP2 subsystem calculation (SCFTYP=RHF
         only).
       = CCD means a CCD subsystem calculation (SCFTYP=RHF
         only).
       = CCSD means a CCSD subsystem calculation.
       = CCSD(T) means a CCSD(T) subsystem calculation
         (SCFTYP=RHF only).
       = CR-CCL means a CR-CC(2,3) subsystem calculation.
 
Note: There is no default for SUBMTD; the user must specify
one of the above values.
 
   The remaining $CIMINP input variables are optional.
 
 
      *** the details of CIM subsystem design ***
 
ZETA   = threshold for assigning environment orbitals to
         central occupied LMOs in the SECIM/GSECIM
         algorithm (CIMTYP=SECIM or GSECIM only).
         Default=0.003.
 
ZETA1  = threshold for assigning primary environment
         orbitals to central occupied LMOs in the DECIM
         algorithm (CIMTYP=DECIM only). Default=0.01.
 
ZETA2  = threshold for assigning secondary environment
         orbitals to irreducible central domains in the
         DECIM algorithm (CIMTYP=DECIM only). Default=0.05.
 
ATMMLK = the Mulliken population cutoff for assigning
         central LMO(s) to each non-hydrogen atom and its
         adjacent hydrogen atom(s) (the SECIM case) or
         to the user-specified set of two or more
         non-hydrogen atoms and hydrogen atoms bounded to
         those atoms provided in $CIMFRG (the GSECIM case)
         in initial steps of the SECIM/GSECIM algorithm.
         The same parameter is also used to assign AO
         domains to occupied LMOs of extended subsystems
         within the SECIM/GSECIM methodology (CIMTYP=SECIM
         or GSECIM only). Default=0.15.
 
BUFDST = cutoff distance (in Angstrom) for buffer atoms
         included in extended subsystems. Default=4.0.
 
MRGSUB = determine whether or not to incorporate smaller
         subsystems into larger ones if the former are
         completely embedded in the latter.
 
       = 0  do not incorporate smaller subsystems into
            larger ones, i.e., retain all subsystems
            resulting from the initial steps of the CIM
            algorithms without eliminating redundancies.
       = 1  incorporate smaller subsystems into larger ones
            if the methods used for smaller subsystems and
            larger ones that contain them are identical or
            if the method used for a given smaller
            subsystem is a lower-level approach compared to
            the method used for the larger subsystem that
            contains it. Otherwise, i.e., if the method
            used for a given smaller subsystem is a
            higher-level approach compared to the method
            used for the larger subsystem, retain the
            smaller subsystem and the method used for it
            without embedding it into the larger one. The
            ordering of theory levels from low to high
            level is MP2
250 lines are written.
Edited by Shiro KOSEKI on Fri Nov 5 14:55:12 2021.