qmcpack/examples/attic/hamiltonian.xml

13 lines
466 B
XML

<?xml version="1.0"?>
<!-- paripot@type=(coulomb, pseudo) -->
<qmcsystem>
<hamiltonian name="h0" type="generic" target="e">
<pairpot name="ElecElec" type="coulomb" source="e" target="e"/>
<pairpot name="IonIon" type="coulomb" source="ion0" target="ion0"/>
<pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
<pseudo elementType="C" href="C.BFD.xml" format="xml"/>
</pairpot>
</hamiltonian>
</qmcsystem>