qmcpack/tests/converter/test_aldet6/gold.wfnoj.xml

2262 lines
195 KiB
XML

<?xml version="1.0"?>
<qmcsystem>
<wavefunction name="psi0" target="e">
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</basisGroup>
</atomicBasisSet>
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</atomicBasisSet>
</basisset>
<sposet basisset="LCAOBSet" name="spo-up" size="24">
<occupation mode="ground"/>
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</coefficient>
</sposet>
<sposet basisset="LCAOBSet" name="spo-dn" size="24">
<occupation mode="ground"/>
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</sposet>
<multideterminant optimize="yes" spo_up="spo-up" spo_dn="spo-dn">
<detlist size="21" type="DETS" nca="0" ncb="0" nea="21" neb="21" nstates="24" cutoff="1e-20">
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<ci id="CIcoeff_18" coeff="-0.0656377" qc_coeff="-0.0656377" alpha="111111111111111111110100" beta="111111111111111111101010"/>
<ci id="CIcoeff_19" coeff="-0.0542845" qc_coeff="-0.0542845" alpha="111111111111111111011010" beta="111111111111111111011010"/>
<ci id="CIcoeff_20" coeff="-0.0542448" qc_coeff="-0.0542448" alpha="111111111111111111011100" beta="111111111111111111011100"/>
</detlist>
</multideterminant>
</determinantset>
</wavefunction>
</qmcsystem>