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Re^2: NOT ENOUGH MEMORY FOR INTEGRAL GROUP BUFFER

Yevhen
kitlod@gmail.com

On Fri Feb 13 '09 3:54pm, Alex Granovsky wrote
----------------------------------------------
>Hi,

>what is your $drt/$cidrt group?

>How many basis functions are in use, etc..., etc...

My input file looks like as

$CONTRL SCFTYP=RHF ICHARG=0 MULT=1 MAXIT=200 $END
$CONTRL EXETYP=check RUNTYP=transitn COORD=cart CITYP=GUGA $END
$CIDRT1 GROUP=C1 IEXCIT=1 NFZC=307 NDOC=3 NVAL=630 $END
$GUGDIA ITERMX=500 $END
$SYSTEM TIMLIM=100000 MEMORY=90000000 $END
$STATPT NSTEP=2000 $END
$BASIS  GBASIS=N21 NGAUSS=3 $END
$TRANST IROOTS(1)=1,4 $END
$GUESS GUESS=HUCKEL $END
$DATA
******
$End
$vec1
******
$End

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