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vasprun.split.charged.xml
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vasprun.split.charged.xml
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<?xml version="1.0" encoding="ISO-8859-1"?>
<modeling>
<generator>
<i name="program" type="string">vasp </i>
<i name="version" type="string">5.4.1 </i>
<i name="subversion" type="string">05Feb16 (build Sep 26 2016 13:17:54) complex parallel </i>
<i name="platform" type="string">IFC91_ompi </i>
<i name="date" type="string">2018 07 30 </i>
<i name="time" type="string">15:49:05 </i>
</generator>
<incar>
<i type="string" name="PREC">normal</i>
<i name="ENCUT"> 100.00000000</i>
<i name="NELECT"> 7.00000000</i>
<v type="int" name="KPOINT_BSE"> -1 0 0 0</v>
</incar>
<kpoints>
<generation param="Gamma">
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<v name="genvec3"> 0.00000000 0.00000000 1.00000000 </v>
<v name="shift"> 0.00000000 0.00000000 0.00000000 </v>
</generation>
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</varray>
<varray name="weights" >
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</varray>
</kpoints>
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</separator>
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</separator>
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</separator>
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</separator>
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</separator>
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</parameters>
<atominfo>
<atoms> 2 </atoms>
<types> 2 </types>
<array name="atoms" >
<dimension dim="1">ion</dimension>
<field type="string">element</field>
<field type="int">atomtype</field>
<set>
<rc><c>B </c><c> 1</c></rc>
<rc><c>B </c><c> 2</c></rc>
</set>
</array>
<array name="atomtypes" >
<dimension dim="1">type</dimension>
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<field>mass</field>
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<r> 0.5723 -0.0495 14.0012 </r>
<r> 0.6147 -0.0185 14.0004 </r>
<r> 0.6571 -0.0062 14.0001 </r>
<r> 0.6995 -0.0019 14.0000 </r>
<r> 0.7419 -0.0005 14.0000 </r>
<r> 0.7844 -0.0001 14.0000 </r>
<r> 0.8268 -0.0000 14.0000 </r>
<r> 0.8692 -0.0000 14.0000 </r>
<r> 0.9116 -0.0000 14.0000 </r>
<r> 0.9540 -0.0000 14.0000 </r>
<r> 0.9964 -0.0000 14.0000 </r>
<r> 1.0389 -0.0000 14.0000 </r>
<r> 1.0813 -0.0000 14.0000 </r>
<r> 1.1237 -0.0000 14.0000 </r>
<r> 1.1661 -0.0000 14.0000 </r>
<r> 1.2085 -0.0000 14.0000 </r>
<r> 1.2509 -0.0000 14.0000 </r>
<r> 1.2934 0.0000 14.0000 </r>
<r> 1.3358 0.0000 14.0000 </r>
<r> 1.3782 0.0000 14.0000 </r>
<r> 1.4206 0.0000 14.0000 </r>
<r> 1.4630 0.0000 14.0000 </r>
<r> 1.5054 0.0000 14.0000 </r>
<r> 1.5478 0.0000 14.0000 </r>
<r> 1.5903 0.0000 14.0000 </r>
<r> 1.6327 0.0000 14.0000 </r>
<r> 1.6751 0.0000 14.0000 </r>
<r> 1.7175 0.0000 14.0000 </r>
<r> 1.7599 0.0000 14.0000 </r>
<r> 1.8023 0.0000 14.0000 </r>
<r> 1.8448 0.0000 14.0000 </r>
<r> 1.8872 0.0000 14.0000 </r>
<r> 1.9296 0.0000 14.0000 </r>
<r> 1.9720 0.0000 14.0000 </r>
<r> 2.0144 0.0000 14.0000 </r>
</set>
</set>
</array>
</total>
</dos>
</calculation>
<structure name="finalpos" >
<crystal>
<varray name="basis" >
<v> 5.00000000 0.00000000 0.00000000 </v>
<v> 0.00000000 5.00000000 0.00000000 </v>
<v> 0.00000000 0.00000000 5.00000000 </v>
</varray>
<i name="volume"> 125.00000000 </i>
<varray name="rec_basis" >
<v> 0.20000000 0.00000000 0.00000000 </v>
<v> 0.00000000 0.20000000 0.00000000 </v>
<v> 0.00000000 0.00000000 0.20000000 </v>
</varray>
</crystal>
<varray name="positions" >
<v> 0.00000000 0.00000000 0.00000000 </v>
<v> 0.50000000 0.50000000 0.50000000 </v>
</varray>
</structure>
</modeling>