mirror of https://github.com/QMCPACK/qmcpack.git
2030 lines
144 KiB
XML
2030 lines
144 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<fpmd:species
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xmlns:fpmd="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0"
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xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
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xsi:schemaLocation="http://www.quantum-simulation.org/ns/fpmd/fpmd-1.0 species.xsd">
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<description> ppconvert </description>
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<symbol>Ne</symbol>
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<atomic_number> 10 </atomic_number>
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<mass> 20.1797 </mass>
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<norm_conserving_pseudopotential>
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<valence_charge> 8 </valence_charge>
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<lmax> 1 </lmax>
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<llocal> 1 </llocal>
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<nquad> 0 </nquad>
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<rquad> 3 </rquad>
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<mesh_spacing> 0.005 </mesh_spacing>
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<projector l="0" size="2000">
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<radial_potential>
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</projector>
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<projector l="1" size="2000">
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<radial_potential>
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</radial_potential>
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</projector>
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</norm_conserving_pseudopotential>
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</fpmd:species>
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