The expansion coefficients V(R) for a given value of R.
Meaningful values of V(R,
) will be given only if the
potential used is expanded as
V(R,
= V00(R) +
)
V
(R)
x P
[cos(
)]
where = 1, 2, ..., P
is an ordinary Legendre polynomial and the sum extends from
LAMMIN(1) to min[LAMMAX(1), 6]. In the case of a homonuclear molecule
(IHOMO=.true.), only even
terms are included in the sum.
The functions V00(R) and V(R) are
calculated by the subroutine POT.
After entering the command TESTPOT you will be prompted for the value of nlam, which is the maximum number of anisotropic terms in the expansion of the potential.