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TOO MANY ITERATIONS IN CPKS

Andrey Degtyarev
ad.dycost@gmail.com


Hi
I'm trying to optimize geometry with EFP.
Program terminated whith error:

..... SOLVING CPHF IN THE AO BASIS .....
.....   30 ITERATIONS CARRIED OUT    .....

FATAL: TOO MANY ITERATIONS IN CPKS!

ADDRESS 0xEFF9504B HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

I could not find where to increase the number of iterations in CPKS
Input adn output attached

This message contains the 139 kb attachment
[ H2SO4.b3lyp5.aug-cc-pVDZ.opt.tar.gz ]


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