PC GAMESS/Firefly-related discussion club

sanya
sanya@photonics.ru

I've tried almost everything you recommend prior to bothering Dr. Granovsky. Unfortunately, it had no effect at all. At the same time, GAMESS-US works well with the same input (save for some minor changes concerning the difference in PCGAMESS and GAMESS-US input file format). Thank you, anyway.

Best regards,
Sanya

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>Dear Sanya
>I recommend you to try the followings.
>  (1)$GUESS GUESS=HCORE $END
>       Maybe, HUECKEL guess (default) is not appropriate to your Ir complex.
>  (2)changing symbols of none ECP atoms, for example,
>        C  NONE -> C-ECP NONE
>     Please read $ECP description in input.pdf.

>Best regards,
>Fumihito Mohri