Solntsev Pasha
solntsev@univ.kiev.ua
This is a head of my input file
$CONTRL SCFTYP=MCSCF RUNTYP=energy EXETYP=run MAXIT=100 MULT=1
d5=.t. inttyp=hondo icut=11 itol=30 $END
$contrl fstint=.t. gencon=.t. $end
$SYSTEM TIMLIM=999999990 mwords=100 kdiag=0 nojac=100 $END
$BASIS GBASIS=n311 ngauss=6 ndfunc=1 npfunc=1 $END
$trans mptran=2 dirtrf=.t. aoints=dist altpar=.t. mode=112 $end
$drt group=c1 fors=.t.
nmcc=154 ndoc=5 naos=7 nbos=7 nval=10 nfzv=5 next=-1 $end
$mcscf cistep=guga soscf=.t. maxit=150 micit=10 fullnr=.f. $end
$SCF DIRSCF=.TRUE. $END
$p2p p2p=.t. dlb=.t. $end
$smp call64=.t. $end
$DATA
Any advices?
Best, Pavel.