RS2 problems

[Qadir K. Timerghazin]

Dear MOLPRO users/authors,

We ran to whole bunch of problems trying to do RS2 calculations.
Typically, the calculation crashes due to severe convergence problems:
" NO CONVERGENCE IN REFERENCE CI AFTER300 ITERATIONS. DEMAX=  0.75D-07 VRMAX=  0.10D-08
 PLEASE INCREASE MAXITI AND RETRY!"
even though the previous CASSCF calculation converged easily.
 
Couple of times we also ended up with rather cryptic error message:
" Maximum shell inside CICON        8
 OFFSET ERROR ANIL
 ish1,isy1,ica,ice  4 1 162437 271260

 nsof1
         1     2     3     4     5     6     7     8
   1     0514825************************************
   2     0544825************************************"

Any hints how to tackle convergence (and other) problems in RS2?

Thank you.

-- 
Best regards,
 Qadir Timerghazin                         mailto:qtccl at gala.net