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How to reduce memory constraints for DFT calculations of say 5th row above elements...?

Siddheshwar Chopra
sidhusai@gmail.com


Dear Sir,
I am trying to run DFT calculations for 5th row and beyond elements on my i3 processor laptop with 2GB RAM. I am using SBKJCs for the same. But I am continuously getting the memory errors. Please suggest me how to go about this situation. I am using the following commands:

$SYSTEM MEMORY=194459319 aoints=dist TIMLIM=5295600 KDIAG=0 $END
$CONTRL INTTYP=HONDO ICUT=11 ITOL=30 RUNTYP=HESSIAN SCFTYP=RHF $END
$CONTRL DFTTYP=B3LYP COORD=UNIQUE NZVAR=126 $END
$CONTRL MAXIT=10000 MOLPLT=.t. PLTORB=.t. ECP=SBKJC $END
$CONTRL EXETYP=CHECK $END
$BASIS GBASIS=SBKJC $END
$STATPT opttol=10E-7 NSTEP=200 Method=GDIIS $END
$SMP HTTFIX=.f. $END
$p2p p2p=.t. mxbuf=2048 dlb=.t. $END
$SCF dirscf=.t. fdiff= .f. diis=.t. $END  
$DFT HFX(1)=0.15 LMAX=41 NRAD=99 $end
$ZMAT DLC=.t. AUTO=.t. $END
$SCF NCONV=7 $END

Regards,


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