qmcpack/tests/converter/test_He_sto3g/gold.structure.xml

25 lines
706 B
XML

<?xml version="1.0"?>
<qmcsystem>
<particleset name="ion0" size="1">
<group name="He">
<parameter name="charge">2</parameter>
<parameter name="valence">2</parameter>
<parameter name="atomicnumber">2</parameter>
</group>
<attrib name="position" datatype="posArray">
0.0000000000e+00 0.0000000000e+00 0.0000000000e+00
</attrib>
<attrib name="ionid" datatype="stringArray">
He
</attrib>
</particleset>
<particleset name="e" random="yes" randomsrc="ion0">
<group name="u" size="1">
<parameter name="charge">-1</parameter>
</group>
<group name="d" size="1">
<parameter name="charge">-1</parameter>
</group>
</particleset>
</qmcsystem>