Hossein Hajiabadi
haji309@gmail.com
$CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE MPLEVL=2 MAXIT=30 MULT=1 $END
$SYSTEM TIMLIM=525600 MEMORY=10000000 $END
$BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 NPFUNC=1 DIFFSP=.TRUE.
� �DIFFS=.TRUE. $END
$SCF DIRSCF=.F. $END
$STATPT OPTTOL=0.0001 NSTEP=20 $END
my windows crashes and a blue screen appears.
pcGamess can do this job with DIRSCF=.T. keyword
I use pcGamesss/firefly v.7.1.F and Windows server 2008 �
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This message contains the 1 kb attachment [ test_1.inp ] my input |