<?xml version="1.0" encoding="UTF-8" standalone="no"?>
<fleurInput fleurInputVersion="0.27">
   <comment>
      PTO
   </comment>
   <calculationSetup>
      <cutoffs Kmax="4.50000000" Gmax="12.00000000" GmaxXC="10.00000000" numbands="0"/>
      <scfLoop itmax="1" maxIterBroyd="99" imix="Anderson" alpha=".05000000" spinf="2.00000000"/>
      <coreElectrons ctail="T" frcor="F" kcrel="0"/>
      <magnetism jspins="1" l_noco="F" l_J="F" swsp="F" lflip="F"/>
      <soc theta=".00000000" phi=".00000000" l_soc="T" spav="F" off="F" soc66="T"/>
      <expertModes gw="0" pot8="F" eig66="F" lpr="0" isec1="99" secvar="F"/>
      <geometryOptimization l_f="F" xa="2.00000000" thetad="330.00000000" epsdisp=".00001000" epsforce=".00001000"/>
      <bzIntegration valenceElectrons="42.00000000" mode="hist" fermiSmearingEnergy=".00331000">
         <kPointCount count="1" gamma="F"/>
      </bzIntegration>
      <energyParameterLimits ellow="-1.80000000" elup="1.00000000"/>
   </calculationSetup>
   <cell>
      <symmetryFile filename="sym.out"/>
      <bulkLattice scale="1.000000000000" latnam="squ">
         <a1>7.478561680000</a1>
         <c>7.987106080000</c>
      </bulkLattice>
   </cell>
   <xcFunctional name="wc" relativisticCorrections="F"/>
   <atomSpecies>
      <species name="Pb-1" element="Pb" atomicNumber="82" coreStates="19" magMom=".00000000" flipSpin="T">
         <mtSphere radius="2.10000000" gridPoints="853" logIncrement=".01600000"/>
         <atomicCutoffs lmax="12" lnonsphr="8"/>
         <energyParameters s="6" p="6" d="6" f="5"/>
         <lo type="SCLO" l="2" n="5" eDeriv="0"/>
      </species>
      <species name="Ti-2" element="Ti" atomicNumber="22" coreStates="5" magMom=".00000000" flipSpin="T">
         <mtSphere radius="1.95000000" gridPoints="517" logIncrement=".02300000"/>
         <atomicCutoffs lmax="8" lnonsphr="6"/>
         <energyParameters s="4" p="4" d="3" f="4"/>
         <lo type="SCLO" l="1" n="3" eDeriv="0"/>
      </species>
      <species name="O-3" element="O" atomicNumber="8" coreStates="1" magMom=".00000000" flipSpin="T">
         <mtSphere radius="1.35000000" gridPoints="293" logIncrement=".03500000"/>
         <atomicCutoffs lmax="6" lnonsphr="4"/>
         <energyParameters s="2" p="2" d="3" f="4"/>
      </species>
   </atomSpecies>
   <atomGroups>
      <atomGroup species="Pb-1">
         <relPos>.000000000000/2.000000000000 .000000000000/2.000000000000 1.000000000000/2.000000000000</relPos>
         <force calculate="T" relaxXYZ="TTT"/>
      </atomGroup>
      <atomGroup species="Ti-2">
         <relPos>.500000000000 .500000000000 .035000000000</relPos>
         <force calculate="T" relaxXYZ="TTT"/>
      </atomGroup>
      <atomGroup species="O-3">
         <relPos>.500000000000 .000000000000 .113000000000</relPos>
         <relPos>.000000000000 .500000000000 .113000000000</relPos>
         <force calculate="T" relaxXYZ="TTT"/>
      </atomGroup>
      <atomGroup species="O-3">
         <relPos>.500000000000 .500000000000 -.396000000000</relPos>
         <force calculate="T" relaxXYZ="TTT"/>
      </atomGroup>
   </atomGroups>
   <output dos="F" band="F" vacdos="F" slice="F">
      <checks vchk="F" cdinf="F" disp="F"/>
      <densityOfStates ndir="0" minEnergy="-.50000000" maxEnergy=".50000000" sigma=".01500000"/>
      <vacuumDOS layers="0" integ="F" star="F" nstars="0" locx1=".00000000" locy1=".00000000" locx2=".00000000" locy2=".00000000" nstm="0" tworkf=".00000000"/>
      <plotting iplot="F" score="F" plplot="F"/>
      <chargeDensitySlicing numkpt="0" minEigenval=".00000000" maxEigenval=".00000000" nnne="0" pallst="F"/>
      <specialOutput form66="F" eonly="F" bmt="F"/>
   </output>
</fleurInput>
