mirror of https://github.com/QMCPACK/qmcpack.git
15 lines
475 B
Plaintext
15 lines
475 B
Plaintext
$CONTRL SCFTYP=RHF RUNTYP=ENERGY MULT=1
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ISPHER=1 EXETYP=RUN MAXIT=200 $END
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$SYSTEM MEMORY=350000000 MEMDDI=250 $END
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$BASIS GBASIS=STO NGAUSS=3 $END
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$GUESS GUESS=HUCKEL $END
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$SCF DIRSCF=.TRUE. $END
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$DATA
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C1
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HYDROGEN 1.0 0.0000000000 0.00000 0.00000000000
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HYDROGEN 1.0 1.0000000000 0.00000 0.00000000000
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HYDROGEN 1.0 -0.0000000000 -0.00000 1.50000000000
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HYDROGEN 1.0 0.0000000000 -0.00000 3.00000000000
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$END
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