About Quasi-diabatization

[XX Liu]

Dear, molpro users:

The  matrix element H21 at the intersection of the X2sigma+ and A2pi for AlN- system was calculated using the example in the "Quasi-diabatization" section of the molpro manual. The calculated matrix element at the intersection of these two states is zero. Is the result of H21 being 0 correct? There are some people think the result is not reasonable.  (note: the two PECs crossing point at 3.72 bohr)

Please see the attachment for the output file.