$PCMITR group     (optional, for IEF=-3 or -10 in $PCM)
 
    This group provides control over the iterative
isotropic IEF-PCM calculation.  See
     C.S.Pomelli, J.Tomasi, V.Barone
        Theoret.Chem.Acc. 105, 446-451(2001)
     H.Li, C.S.Pomelli, J.H.Jensen
        Theoret.Chem.Acc. 109, 71-84(2003)
 
MXDIIS =  Maximum size of the DIIS linear equations, the
          value impacts the amount of memory used by PCM.
          Memory=2*MXDIIS*NTS, where NTS is the number of
          tesserae. MXDIIS=0 means no DIIS, instead the
          point Jacobi iterative method will be used.
          (Default=50)
 
MXITR1 =  Maximum number of iters in phase 1. (Default=50)
 
MXITR2 =  Maximum number of iters in phase 2. (Default=50)
 
     note: if MXDIIS is larger than both MXITR1 and MXITR2
     MXDIIS will be reset to be the larger of these two.
 
THRES  =  Convergence threshold for the PCM Apparent
          Surface Charges (ASC). (Default=1.0D-08)
 
THRSLS =  Loose threshold used in the early SCF cycles when
          the density change is above DENSLS.  If THRSLS <
          THRESH, this option is turned off.
          Default is 5.0D-04.
 
DENSLS =  If the density change is above DENSLS the loose
          threshold THRSLS applies.  (Default = 0.01 au)
 
IDIRCT =  1, Directly compute the electronic potential at
             each tessera and the ASC potential at the
             electronic coordinates, with no disk storage.
             (Default)
          0, Compute and save above data to hard disk.
 
Keywords for region wise multipole expansion of ASCs
in approximating interaction among tesserae:
 
(C.S.Pomelli, J.Tomasi THEOCHEM 537, 97-105(2001))
 
IMUL   =  Region wise multipole expansion order in the
          approximate interaction among tesserae.
       =  0, Neglected (Only for test purposes)
       =  1, Monopole
       =  2, Monopole+Dipole
       =  3, Monopole+Dipole+Quadrupole (Default)
 
RCUT1  =  Cutoff radius (Angstrom) for mid-range
          interactions among tesserae. Default=15.0 A
          If RCUT1 is larger than your molecule, the
          option is effectively turned off.
 
RCUT2  =  Cutoff radius (Angstrom) for long range
          interactions among tesserae. Default=30.0 A
 
The remaining keywords apply only to PCM calculations with
a QM/EFP solute (see Li et al.)
 
Keywords for region wise multipole expansion of ASCs
in approximating interaction between ASCs and QM region:
 
IMGASC =  1, Use region wise multipole expansion of ASCs
             to compute the ASC potential at QM region.
          0, no use of the multipole expansion method.
             (default)
 
RASC   =  Cutoff radius (Angstrom) for used of the IMGASC
          multipole expansion (Default=20.0 A)
 
Keywords for multipole expansion of the QM region in
approximating the QM region potential:
 
IMGABI =  0, multipole expansion of the QM region is turned
             off (default).
          1, turn multipole expansion of the QM region on.
 
RABI   =  Cutoff radius (Angstrom) for used of the IMGABI
          multipole expansion (Default=4.0 A)
 
Keywords for the coupling of PCM and EFP polarizability
tensors:
 
IEFPOL =  1, PCM ASCs induce EFP dipoles.(default)
          0, PCM ASCs do not induce EFP dipoles.
 
REFPOL =  When IEFPOL=1, if the distance (Angstrom) between
          a polarizability point and a tessera is less than
          REFPOL, they are considered too close and the
          field from the tessera will not induce dipole for
          the polarizability point. Default=0.0 A means
          always induce the dipole.
 
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