Searched refs:DFTTYP (Results 1 – 25 of 125) sorted by relevance
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72 CHARACTER*6 DFTTYP75 COMMON /DFTCHR/ DFTTYP, &
4 $DFT DFTTYP=B3LYP $END
2 DFTTYP=B3LYP $END
5 $DFT DFTTYP=B3LYP $END
1 $CONTRL RUNTYP=ENERGY SCFTYP=RHF DFTTYP=BP86 NPRINT=3 DFTD=.T. $END
1 $CONTRL SCFTYP=RHF DFTTYP=B3LYP TDDFT=EXCITE
1 $CONTRL COORD=PRINAXIS SCFTYP=RHF DFTTYP=B3LYP TDDFT=EXCITE
2 RUNTYP=ENERGY SCFTYP=RHF DFTTYP=B3LYP
2 RUNTYP=ENERGY SCFTYP=UHF DFTTYP=B3LYP
2 RUNTYP=OPTIMIZE SCFTYP=RHF DFTTYP=B3LYP
2 RUNTYP=ENERGY SCFTYP=RHF DFTTYP=BP86 $END
1 $CONTRL SCFTYP=ROHF DFTTYP=PBE RUNTYP=ENERGY MULT=1
1 $CONTRL SCFTYP=ROHF DFTTYP=B3LYP RUNTYP=ENERGY MULT=1