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# Simple Cu-Bulk test
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This test corresponds to one of the most basic FLEUR calculations. It just generates a starting density and runs a single iteration.
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## inp.xml
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```
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<?xml version="1.0" encoding="UTF-8" standalone="no"?>
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<fleurInput fleurInputVersion="0.30">
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<comment>
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FLEUR in
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</comment>
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<calculationSetup>
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<cutoffs Kmax="3.50000000" Gmax="15.00000000" GmaxXC="10.00000000" numbands="0"/>
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<scfLoop itmax="1" minDistance=".00001000" maxIterBroyd="99" imix="Anderson" alpha=".05000000" precondParam="0.0" spinf="2.00000000"/>
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<coreElectrons ctail="T" frcor="F" kcrel="0" coretail_lmax="99"/>
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<magnetism jspins="1" l_noco="F" swsp="F" lflip="F"/>
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<soc theta=".00000000" phi=".00000000" l_soc="F" spav="F"/>
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<expertModes gw="0" secvar="F"/>
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<geometryOptimization l_f="F" forcealpha="1.00000000" forcemix="BFGS" epsdisp=".00001000" epsforce=".00001000"/>
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<ldaU l_linMix="F" mixParam=".100000" spinf="2.000000"/>
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<bzIntegration valenceElectrons="22.00000000" mode="hist" fermiSmearingEnergy=".00100000">
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<kPointList name="default" count="3">
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<kPoint weight=" 8.000000"> 0.375000 0.375000 0.250000</kPoint>
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<kPoint weight=" 16.000000"> 0.375000 0.125000 0.250000</kPoint>
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<kPoint weight=" 8.000000"> 0.125000 0.125000 0.250000</kPoint>
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</kPointList>
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</bzIntegration>
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<energyParameterLimits ellow="-.80000000" elup=".50000000"/>
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<symmetryOperations>
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<symOp>
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<row-1>1 0 0 .0000000000</row-1>
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<row-2>0 1 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>-1 0 0 .0000000000</row-1>
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<row-2>0 -1 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>-1 0 0 .0000000000</row-1>
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<row-2>0 1 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 1 0 .0000000000</row-1>
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<row-2>-1 0 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>1 0 0 .0000000000</row-1>
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<row-2>0 -1 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 -1 0 .0000000000</row-1>
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<row-2>1 0 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 -1 0 .0000000000</row-1>
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<row-2>-1 0 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 1 0 .0000000000</row-1>
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<row-2>1 0 0 .0000000000</row-2>
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<row-3>0 0 1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>-1 0 0 .0000000000</row-1>
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<row-2>0 -1 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>1 0 0 .0000000000</row-1>
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<row-2>0 1 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>1 0 0 .0000000000</row-1>
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<row-2>0 -1 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>-1 0 0 .0000000000</row-1>
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<row-2>0 1 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 -1 0 .0000000000</row-1>
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<row-2>1 0 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 1 0 .0000000000</row-1>
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<row-2>-1 0 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 1 0 .0000000000</row-1>
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<row-2>1 0 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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<symOp>
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<row-1>0 -1 0 .0000000000</row-1>
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<row-2>-1 0 0 .0000000000</row-2>
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<row-3>0 0 -1 .0000000000</row-3>
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</symOp>
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</symmetryOperations>
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</calculationSetup>
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<cell>
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<bulkLattice scale="1.0000000000">
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<bravaisMatrix>
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<row-1>4.6709350900 .0000000000 .0000000000</row-1>
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<row-2>.0000000000 4.6709350900 .0000000000</row-2>
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<row-3>.0000000000 .0000000000 6.6057000000</row-3>
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</bravaisMatrix>
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</bulkLattice>
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</cell>
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<xcFunctional name="pz" relativisticCorrections="F"/>
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<atomSpecies>
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<species name="Cu-1" element="Cu" atomicNumber="29" flipSpin="T">
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<mtSphere radius="2.20000000" gridPoints="935" logIncrement=".01300000"/>
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<atomicCutoffs lmax="12" lnonsphr="8"/>
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<electronConfig>
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<coreConfig>(1s1/2) (2s1/2) (2p1/2) (2p3/2) (3s1/2) (3p1/2) (3p3/2)</coreConfig>
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<valenceConfig>(4s1/2) (3d3/2) (3d5/2)</valenceConfig>
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<stateOccupation state="(4s1/2)" spinUp=".50000000" spinDown=".50000000"/>
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</electronConfig>
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<energyParameters s="4" p="4" d="3" f="4"/>
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</species>
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<species name="Cu-2" element="Cu" atomicNumber="29" flipSpin="T">
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<mtSphere radius="2.20000000" gridPoints="935" logIncrement=".01300000"/>
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<atomicCutoffs lmax="12" lnonsphr="8"/>
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<electronConfig>
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<coreConfig>(1s1/2) (2s1/2) (2p1/2) (2p3/2) (3s1/2) (3p1/2) (3p3/2)</coreConfig>
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<valenceConfig>(4s1/2) (3d3/2) (3d5/2)</valenceConfig>
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<stateOccupation state="(4s1/2)" spinUp=".50000000" spinDown=".50000000"/>
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</electronConfig>
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<energyParameters s="4" p="4" d="3" f="4"/>
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</species>
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</atomSpecies>
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<atomGroups>
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<atomGroup species="Cu-1">
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<relPos label=" ">.0000000000 .0000000000 1.000/2.000</relPos>
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<force calculate="T" relaxXYZ="TTT"/>
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</atomGroup>
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<atomGroup species="Cu-2">
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<relPos label=" ">1.000/2.000 1.000/2.000 .0000000000</relPos>
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<force calculate="T" relaxXYZ="TTT"/>
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</atomGroup>
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</atomGroups>
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<output dos="F" band="F" vacdos="F" slice="F" mcd="F">
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<checks vchk="T" cdinf="F"/>
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<densityOfStates ndir="0" minEnergy="-.50000000" maxEnergy=".50000000" sigma=".01500000"/>
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<vacuumDOS layers="0" integ="F" star="F" nstars="0" locx1=".00000" locy1=".00000" locx2=".00000" locy2=".00000" nstm="0" tworkf=".00000"/>
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<unfoldingBand unfoldBand="F" supercellX="1" supercellY="1" supercellZ="1"/>
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<plotting iplot="F" score="F" plplot="F"/>
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<chargeDensitySlicing numkpt="0" minEigenval=".00000000" maxEigenval=".00000000" nnne="0" pallst="F"/>
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<specialOutput eonly="F" bmt="F"/>
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<magneticCircularDichroism energyLo="-10.00000000" energyUp=".00000000"/>
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</output>
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<!-- We include the file relax.inp here to enable relaxations (see documentation) -->
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<xi:include xmlns:xi="http://www.w3.org/2001/XInclude" href="relax.xml"> <xi:fallback/> </xi:include>
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</fleurInput>
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```
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## Tests
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|Type|File|RegExp|Match|Value|Tolerance
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|file|out||||
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|string|out|'it= 1 is completed'||
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|number|out|'new fermi energy'|': *([^ ]*)'|0.4233|0.0001
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|number|out|'total energy='|'= *([^ ]*)'|-3305.016|0.001
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|number|out|'distance of charge densitie'|'1: *([^ ]*)'|45.826|0.001 |