$NEWCAV group                             (optional)
 
   This group controls generation of the "escaped charge"
cavity, used when ICOMP=3 or IREP=1 in $PCM.  This cavity
is used only to calculate the fraction of the solute
electronic charge escapes from the original cavity.
 
IPTYPE = choice for tessalation of the cavity's spheres.
       = 1 uses a tetrahedron
       = 2 uses a pentakisdodecahedron (default)
 
ITSNUM = m, the number of tessera to use on each sphere.
       if IPTYPE=1, input m=30*(n**2), with n=1,2,3 or 4
       if IPTYPE=2, input m=60*(n**2), with n=1,2,3 or 4
       (default is 60)
 
   *** the next three parameters pertain to IREP=1 ***
 
RHOW   = density, relative to liquid water (default = 1.0)
 
PM     = molecular weight (default = 18.0)
 
NEVAL  = number of valence electrons on solute (default=8)
 
The defaults for RHOW, PM, and NEVAL correspond to water,
and therefore must be correctly input for other solvents.
 
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Edited by Shiro KOSEKI on Thu Mar 5 10:25:38 2020.