Experts,
I conducted the following electrostatic potential calculation in GAMESS
$SYSTEM MEMDDI=400 MWORDS=200 $END
$CONTRL DFTTYP=B3LYP ICHARG=-2 MULT=1 MAXIT=200 $END
$GUESS GUESS=HCORE $END
$ELPOT IEPOT=1 WHERE=PDC $END
$PDC PTSEL=CONNOLLY CONSTR=NONE $END
$BASIS GBASIS=STO NGAUSS=3 NDFUNC=1 $END
The system exits the program without converging. How can I resubmit this job to continue the SCF procedure since it is near to converging?
I think I should use the Group $GUESS GUESS=MOREAD?
Thanks for your assistance.
Ralph R. Roberts, Ph.D.
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Received on Tue Jan 09 2024 - 03:00:04 PST
