Documentation for DPFIT and DPCAT
 
These programs which use the subroutine DPI.FOR are used to calculate doublet
pi energies and intensities with one nuclear spin using a Hund's case (a). 
 
See CALPGM.DOC for a description of the input and output files.
 
The quanta used in file.lin and file.cat are:
J+1/2, omega+1/2, lambda with a sign for the inversion parity, F [+1/2].

notes: If the nuclear spin is zero, the F quantum field is not used.

       For e levels the parity is (-1)**(J+1/2), while for f levels 
       the parity is opposite.


The option information in line 3 of file.par and file.var is a single free 
format value equal to the degeneracy of the nuclear spin.

Parameter identifiers for file.par and file.var are:
 
                     Parameters:
                            1 A        
                            2 AJ
                            3 AH
                            4 B+Q/2
                            5 D
                            6 H
                            7 P
                            8 Q
                            9 PD
                           10 QD
                           11 CHI(1) = [ a - (b+c)/2 ]/2
                           12 CHI(2) = d / 2
                           13 CHI(3) = [ a - (b+c)/2 ] 3/2
                           14 CHI(4) = -b / 2
                           15 CHI(5)
                           16 CHI(6)
                           18 CHI(8)
                           19 CHI(9)
                           20 ETA(0)
                           21 ETA(1)
                           22 ETA(2)
                                                           
The format of line 3 of file.int is:                                                           
                                                           
card 3 [freeform]: IDIP,DIPOLE
  
      IDIP   = dipole identifier (ignored)
      DIPOLE = electric dipole value

                      
The field QNFMT in file.cat is:
      803 for nuclear spin =0
      804 for other nuclear spins with odd multiplicity
      814 for nuclear spin with even multiplicity