mirror of https://github.com/QMCPACK/qmcpack.git
13371 lines
978 KiB
XML
13371 lines
978 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<pseudo version="0.5">
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<header symbol="Ga" atomic-number="31" zval="3" relativistic="unknown"
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polarized="unknown" creator="Nexus" flavor="unknown"
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core-corrections="unknown" xc-functional-type="unknown"
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xc-functional-parametrization="unknown"/>
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<grid type="linear" units="bohr" ri="0.0" rf="10.0" npts="10001"/>
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<semilocal units="hartree" format="r*V" npots-down="4" npots-up="0" l-local="3">
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<vps principal-n="0" l="s" spin="-1" cutoff="3.365641" occupation="unknown">
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<radfunc>
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<grid type="linear" units="bohr" ri="0.0" rf="10.0" npts="10001"/>
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-3.00000000000000e+00 -3.00000000000000e+00 </data>
|
|
</radfunc>
|
|
</vps>
|
|
<vps principal-n="0" l="p" spin="-1" cutoff="3.365641" occupation="unknown">
|
|
<radfunc>
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|
<grid type="linear" units="bohr" ri="0.0" rf="10.0" npts="10001"/>
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<data>
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0.00000000000000e+00 3.24403453303494e-02 6.48802238349906e-02
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-3.00000000000000e+00 -3.00000000000000e+00 </data>
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|
</radfunc>
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</vps>
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<vps principal-n="0" l="d" spin="-1" cutoff="3.365641" occupation="unknown">
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<radfunc>
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<grid type="linear" units="bohr" ri="0.0" rf="10.0" npts="10001"/>
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<data>
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-3.00000000000000e+00 -3.00000000000000e+00 </data>
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</radfunc>
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</vps>
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<vps principal-n="0" l="f" spin="-1" cutoff="3.365641" occupation="unknown">
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<radfunc>
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-3.00000000000000e+00 -3.00000000000000e+00 -3.00000000000000e+00
|
|
-3.00000000000000e+00 -3.00000000000000e+00 -3.00000000000000e+00
|
|
-3.00000000000000e+00 -3.00000000000000e+00 -3.00000000000000e+00
|
|
-3.00000000000000e+00 -3.00000000000000e+00 </data>
|
|
</radfunc>
|
|
</vps>
|
|
</semilocal>
|
|
</pseudo>
|