$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.                       

generated on 7/7/2017