[molpro-user] SOAOTRA error in UCCSD-F12

[Gregory Magoon]

Does anyone recognize the following error (in this case, from a UCCSD-F12
calculation)? My searches have turned up empty.

 Augmented Hessian optimization of geminal fit. Trust ratio= 0.40000
 Convergence reached after   2 iterations. Final gradient= 8.81D-16, Step=
4.22D-06, Delta= 1.28D-09

 Alpha:                 0.19532     0.81920     2.85917     9.50073    35.69989 
 197.79328
 Coeff:                 0.27070     0.30552     0.18297     0.10986     0.06810 
   0.04224


 ? Error
 ? ieqo
 ? The problem occurs in SOAOTRA

 GLOBAL ERROR fehler on processor   0