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Solntsev Pasha
solntsev@univ.kiev.ua

I both cases you requested only one state. It means, you don't have access to higher states.

For 1-T optimization i would recommend you to use this:
$CIS nstate=6 istate=1 mult=3 $end
for 3-T :
$CIS nstate=6 istate=3 mult=3 $end

Also, if you have the same symmetry for first and third triplet states, you can use ISTSYM to filter off all states undesired symmetry.

Check http://classic.chem.msu.su/gran/gamess/cis.html for more detailed information.

Good luck.

Pavel.

On Sun Dec 9 '12 5:19pm, Patrick SK Pang wrote
----------------------------------------------
>Dear all,

>I think there are mistakes in my input files. It is because the optimized gemoetry and the energy of the first excited triplet state are equal to those of the third excited triplet state. Could you help me to point out the mistakes of my input files? My input files are as follows.

>First excited triplet state:
> $CONTRL RUNTYP=Optimize $END
> $CONTRL SCFTYP=RHF CITYP=CIS $END
> $CONTRL ICHARG=0 MULT=1 $END
> $CONTRL NZVAR=33 $END
> $CONTRL ICUT=20 ITOL=30 INTTYP=HONDO $END
> $SCF NCONV=10 FDIFF=.FALSE. $END
> $ZMAT DLC=.T. AUTO=.T. $END
> $BASIS EXTFIL=.T. GBASIS=acc-pvdz $END
> $CIS NSTATE=1 ISTATE=2 MULT=3 $END
> $SYSTEM TIMLIM=10000 MWORDS=100 $END
> $P2P P2P=.T. DLB=.T. $END
> $STATPT NSTEP=200 METHOD=GDIIS $END
> $DATA
>Molecule specification
>...
> $END

>Third excited triplet state:
> $CONTRL RUNTYP=Optimize $END
> $CONTRL SCFTYP=RHF CITYP=CIS $END
> $CONTRL ICHARG=0 MULT=1 $END
> $CONTRL NZVAR=33 $END
> $CONTRL ICUT=20 ITOL=30 INTTYP=HONDO $END
> $SCF NCONV=10 FDIFF=.FALSE. $END
> $ZMAT DLC=.T. AUTO=.T. $END
> $BASIS EXTFIL=.T. GBASIS=acc-pvdz $END
> $CIS NSTATE=1 ISTATE=4 MULT=3 $END
> $SYSTEM TIMLIM=10000 MWORDS=100 $END
> $P2P P2P=.T. DLB=.T. $END
> $STATPT NSTEP=200 METHOD=GDIIS $END
> $DATA
>Molecule specification
>...
> $END

>Thanks!

>Regards,

>Patrick