Commit dad4bb7f authored by Matthias Redies's avatar Matthias Redies

fix tests to new inp-schema

parent 1b8a494b
......@@ -33,13 +33,13 @@
</cell>
<xcFunctional name="pbe0" relativisticCorrections="F"/>
<atomSpecies>
<species name="Si-1" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000" flipSpin="T">
<species name="Si-1" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000">
<mtSphere radius="2.18000000" gridPoints="721" logIncrement=".01600000"/>
<atomicCutoffs lmax="8" lnonsphr="6"/>
<energyParameters s="3" p="3" d="3" f="4"/>
<prodBasis lcutm="4" lcutwf="8" select="4 0 4 2"/>
</species>
<species name="Si-2" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000" flipSpin="T">
<species name="Si-2" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000">
<mtSphere radius="2.18000000" gridPoints="721" logIncrement=".01600000"/>
<atomicCutoffs lmax="8" lnonsphr="6"/>
<energyParameters s="3" p="3" d="3" f="4"/>
......@@ -61,7 +61,6 @@
<densityOfStates ndir="0" minEnergy="-.50000000" maxEnergy=".50000000" sigma=".01500000"/>
<vacuumDOS layers="0" integ="F" star="F" nstars="0" locx1=".00000" locy1=".00000" locx2=".00000" locy2=".00000" nstm="0" tworkf=".00000"/>
<unfoldingBand unfoldBand="F" supercellX="1" supercellY="1" supercellZ="1"/>
<plotting iplot="0" score="F" plplot="F"/>
<chargeDensitySlicing numkpt="0" minEigenval=".00000000" maxEigenval=".00000000" nnne="0" pallst="F"/>
<specialOutput eonly="F" bmt="F"/>
<magneticCircularDichroism energyLo="-10.00000000" energyUp=".00000000"/>
......
......@@ -30,7 +30,7 @@
<!--<xcFunctional name="pbe" relativisticCorrections="F"/>-->
<xcFunctional name="pbe0" relativisticCorrections="F"/>
<atomSpecies>
<species name="Si-1" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000" flipSpin="T">
<species name="Si-1" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000">
<mtSphere radius="2.17000000" gridPoints="717" logIncrement=".01600000"/>
<atomicCutoffs lmax="8" lnonsphr="6"/>
<energyParameters s="3" p="3" d="3" f="4"/>
......
<?xml version="1.0" encoding="UTF-8" standalone="no"?>
<fleurInput fleurInputVersion="0.29">
<comment>
Si bulk
Si bulk
</comment>
<calculationSetup>
<cutoffs Kmax="3.70000000" Gmax="11.10000000" GmaxXC="9.20000000" numbands="80"/>
......@@ -29,13 +29,13 @@
</cell>
<xcFunctional name="pbe0" relativisticCorrections="F"/>
<atomSpecies>
<species name="Si-1" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000" flipSpin="T">
<species name="Si-1" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000">
<mtSphere radius="2.17000000" gridPoints="717" logIncrement=".01600000"/>
<atomicCutoffs lmax="8" lnonsphr="6"/>
<energyParameters s="3" p="3" d="3" f="4"/>
<prodBasis lcutm="4" lcutwf="8" select="4 0 4 2"/>
</species>
<species name="Si-2" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000" flipSpin="T">
<species name="Si-2" element="Si" atomicNumber="14" coreStates="4" magMom=".00000000">
<mtSphere radius="2.17000000" gridPoints="717" logIncrement=".01600000"/>
<atomicCutoffs lmax="8" lnonsphr="6"/>
<energyParameters s="3" p="3" d="3" f="4"/>
......
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