[molpro-user] regarding error

[Peterson, Kirk]

In your list of ci directives, add:    maxit,100,100

The 2nd value is maxiti.

best,

-Kirk

On Jan 5, 2017, at 1:25 AM, sanchit chhabra <sanchitchhabra37 at gmail.com<mailto:sanchitchhabra37 at gmail.com>> wrote:


What should I do for this error?


 NO CONVERGENCE IN REFERENCE CI AFTER 50 ITERATIONS. DEMAX=  0.27D-07 VRMAX=  0.20D-08
 PLEASE INCREASE MAXITI AND RETRY!


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