[molpro-user] geometry optimization error in excited state

[Martin Spenke]

Dear all, 
when running geometry optimization in excited state at mrci level with the following input : ----------------------------- symmetry, nosym angstrom geomtyp=xyz geometry={ H    -0.823239     1.844549     0.000000 O     0.066785     1.489847     0.000000 H    -0.055517     0.532326     0.000000 O    -0.062278    -1.416162     0.000000 H     0.403606    -1.773278     0.759239 H     0.403606    -1.773278    -0.759239}
 basis=aug-cc-pVTZ {hf;orbital,ignore_error=1;wf,20,1;} 
 {multi;orbital,ignore_error=1;occ,14;closed,6;frozen,6;wf,20,sym=1;state,12;pspace,2.0;ORBITAL,2140.2;}
 {mrci;orbital,ignore_error=1;occ,14;closed,6;core,6;wf,20,sym=1;state,2;pspace,2.0;ORBITAL,2140.2;}
 e1=energy(1) e2=energy(2) optg,variable=e2
-----------------------------I then face this error :   ----------------------------- Quadratic Steepest Descent - Minimum Search ? Error ? Error in assigning eigenvector ? The problem occurs in dis1 GLOBAL ERROR fehler on processor   0-----------------------------
Any idea how to overcome it.
BestsMartin 

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