mirror of https://github.com/QMCPACK/qmcpack.git
18 lines
550 B
XML
18 lines
550 B
XML
<?xml version="1.0"?>
|
|
<qmcsystem>
|
|
<wavefunction name="psi0" target="e">
|
|
<sposet_collection type="MolecularOrbital" name="LCAOBSet" source="ion0" transform="yes" href="QP2QMCACK.h5">
|
|
<sposet name="spo-ud" size="2">
|
|
<occupation mode="ground"/>
|
|
<coefficient size="135" spindataset="0"/>
|
|
</sposet>
|
|
</sposet_collection>
|
|
<determinantset>
|
|
<slaterdeterminant>
|
|
<determinant sposet="spo-ud"/>
|
|
<determinant sposet="spo-ud"/>
|
|
</slaterdeterminant>
|
|
</determinantset>
|
|
</wavefunction>
|
|
</qmcsystem>
|