[molpro-user] {SPAM}? Queries

[S4C6Ar]

Dear Molpro staff and users,

  I failed to perform CASPT2 (RS2C) calculations with level-shift by using
Molpro 2006.1, due to no convergence in reference CI. Unfortunately,
"maxiti" can't apply for RS2C calculations. How should I solve this problem?


End of the output:
  NON ZERO P-SP. GR.                 12265 -6.629078016776286E-007
  -714.704330699805       -802.911282350895       0.890141097462560

 NO CONVERGENCE IN REFERENCE CI AFTER 50 ITERATIONS. DEMAX=  0.13D-07VRMAX=
0.40D-09
 PLEASE INCREASE MAXITI AND RETRY!



  Also, when I performed constraint optimization by new SLAPAF optimizer,
Hessian for ANY ATOM ALWAYS is "3.57106431". Something wrong with this new
optimizer? Thank you very much for your attention and any suggestion.

-- 
Happy New Year,

Oscar
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