Converging solution vectors
Hi everyone!
I am having difficulty converging the solution vectors on a two-photon absorption calculation. The systems I'm doing calculations on are relatively large and the default microitaration number of 60 is not enough to converge. I've tried to increase the number of max iterations in the .dal file but this time I'm getting the following error message:
*** MICROITERATIONS STOPPED BEFORE CONVERGENCE BECAUSE MAXIMUM DIMENSION OF REDUCED SPACE 600 EXCEEDED.
Any way I can solve this problem? Also, in the resultant .out file, the tpa cross section I'm given is much lower than what I would have expected. Can this convergence issue be the reason for it or are they irrelevant?
I am attaching the .out file. I would appreciate any feedback or comment. Thanks a bunch, Best