Searched refs:DFTTYP (Results 76 – 100 of 125) sorted by relevance
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243 DFTTYP=NONE TDDFT =NONE
4 $DFT DFTTYP=B3LYP $END
57 INPUT CARD> $DFT DFTTYP=B3LYP $END 349 DFTTYP=NONE
58 INPUT CARD> $DFT DFTTYP=B3LYP $END 350 DFTTYP=NONE
194 DFTTYP=NONE TDDFT =NONE
318 DFTTYP=B3LYP 331 DFTTYP=B3LYP TDDFT =NONE
105 INPUT CARD> RUNTYP=ENERGY SCFTYP=UHF DFTTYP=B3LYP 456 DFTTYP=B3LYP 469 DFTTYP=B3LYP TDDFT =NONE
185 DFTTYP=NONE TDDFT =NONE
303 DFTTYP=B3LYP 316 DFTTYP=B3LYP TDDFT =NONE
96 INPUT CARD> RUNTYP=ENERGY SCFTYP=UHF DFTTYP=B3LYP 441 DFTTYP=B3LYP 454 DFTTYP=B3LYP TDDFT =NONE
605 DFTTYP=NONE TDDFT =NONE
268 DFTTYP=NONE TDDFT =NONE
146 DFTTYP=NONE
240 DFTTYP=NONE TDDFT =NONE
277 DFTTYP=NONE TDDFT =NONE