mirror of https://github.com/QMCPACK/qmcpack.git
35 lines
1.2 KiB
XML
35 lines
1.2 KiB
XML
<?xml version="1.0"?>
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<qmcsystem>
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<simulationcell>
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<parameter name="lattice">
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3.36000000000000e+00 3.36000000000000e+00 0.00000000000000e+00
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0.00000000000000e+00 3.36000000000000e+00 3.36000000000000e+00
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3.36000000000000e+00 0.00000000000000e+00 3.36000000000000e+00
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</parameter>
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<parameter name="bconds">p p p</parameter>
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<parameter name="LR_dim_cutoff">15</parameter>
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</simulationcell>
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<particleset name="ion0" size="2">
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<group name="C">
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<parameter name="charge">4</parameter>
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<parameter name="valence">2</parameter>
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<parameter name="atomicnumber">6</parameter>
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</group>
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<attrib name="position" datatype="posArray">
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1.6800000000e+00 1.6800000000e+00 1.6800000000e+00
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0.0000000000e+00 0.0000000000e+00 0.0000000000e+00
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</attrib>
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<attrib name="ionid" datatype="stringArray">
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C C
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</attrib>
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</particleset>
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<particleset name="e" random="yes" randomsrc="ion0">
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<group name="u" size="4">
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<parameter name="charge">-1</parameter>
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</group>
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<group name="d" size="4">
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<parameter name="charge">-1</parameter>
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</group>
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</particleset>
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</qmcsystem>
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