NPAR: number of lambda-doublet components included
-
If NPAR = 1, just
= +1 states are includedIf NPAR .ne. 1, both
= +1 and = - 1 states are includedJMAX: maximum rotational quantum number minus 1/2.
- JMAX is an
integer variable. Because we are dealing here with a molecule with half-integer
spin, the allowed channel rotational angular momenta run from 1/2 to JMAX+1/2.
IGU: inversion symmetry of states included in expansion.
-
IGU = +1 for gerade states
IGU = -1 for ungerade states
for heteronuclear molecules IGU should be +1
ISA: Nuclear permutation symmetry (s/a label) of states included in the expansion.
-
If the flag IHOMO is .TRUE.,
then only
s states will be included if ISA = +1 and only a states if
ISA = -1
