mirror of https://github.com/QMCPACK/qmcpack.git
18 lines
676 B
XML
18 lines
676 B
XML
<?xml version="1.0"?>
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<qmcsystem>
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<wavefunction name="psi0" target="e">
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<determinantset type="MolecularOrbital" name="LCAOBSet" source="ion0" transform="yes" twist="0.07761248 0.07761248 -0.07761248" href="C_diamond-tiled-cplx.h5" PBCimages="8 8 8">
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<slaterdeterminant>
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<determinant id="updet" size="8">
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<occupation mode="ground"/>
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<coefficient size="52" spindataset="0"/>
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</determinant>
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<determinant id="downdet" size="8">
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<occupation mode="ground"/>
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<coefficient size="52" spindataset="0"/>
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</determinant>
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</slaterdeterminant>
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</determinantset>
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</wavefunction>
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</qmcsystem>
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