[molpro-user] MRCI iterations problem.

[Wang Mingwei]

Hi everyone,

I'm doing a MRCI calculation. When the maximum number
of iterations belonging to MAXITER card is default, I encounter the
following erroneous message:

 NO CONVERGENCE IN REFERENCE CI AFTER 50 ITERATIONS. DEMAX=  0.31D-08VRMAX=
0.88D-09
 PLEASE INCREASE MAXITI AND RETRY!

In later calculation I add the MAXITER card in the input file, in which I
specify maxit=100 & maxiti=100. Now, the MRCI calculation is carrying out
the 3rd iteration. But such following information occurs between two
iterations:

 *** Paging in CIGSS; Available=********     USED=********
 *** cigss paging residual vectors; symmetry=1     orb confs     1 50612
buffer length********
 *** cigss paging coeffcnt vectors; symmetry=1     orb confs     1 50613
buffer length********

What does this mean? Would this affect the result?

Thank you for any reply.

yours,
Mingwei Wang
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