Anton Cherkasov
ach@iomc.ras.ru
Control group from input file:
$CONTRL EXETYP=CHECK $END
$CONTRL SCFTYP=UHF RUNTYP=OPTIMIZE DFTTYP=B3LYP $END
$CONTRL MAXIT=512 $END
$CONTRL MULT=1 $END
$CONTRL AIMPAC=.T. $END
$CONTRL NZVAR=234 $END
Fragment of output file:
**** ERROR READING INPUT GROUP $CONTRL *****
THE PROBLEM IS WITH THIS CARD, BEFORE OR NEAR THE $ POINTER
$CONTRL AIMPAC=.T. $END
$
LEGAL KEYWORDS FOR THIS GROUP ARE:
SCFTYP RUNTYP EXETYP ICHARG MULT UNITS
INTTYP LOCAL MAXIT NPRINT IREST NORMF
NORMP ITOL ICUT NZVAR NOSYM GEOM
MPLEVL AIMPAC ECP PLTORB MOLPLT RPAC
COORD FRIEND NOSO CITYP WIDE OLDECP
DFTTYP D5 FSTINT LEXCUT REORDR GENCON
NUMDER DFTD
ERROR IN $CONTRL INPUT - STOP
Computation runs OK without this instruction.