Commit a692fb18 authored by Robin Hilgers's avatar Robin Hilgers

Fix for GaAs test

parent 6c11f5e9
......@@ -28,7 +28,7 @@
</cell>
<xcFunctional name="pbe" relativisticCorrections="F"/>
<atomSpecies>
<species name="Ga-1" element="Ga" atomicNumber="31" coreStates="7" magMom=".00000000" flipSpin="T">
<species name="Ga-1" element="Ga" atomicNumber="31" coreStates="7" magMom=".00000000" flipSpinPhi=".00000000" flipSpinTheta="0.000000" flipSpinScale="F">
<mtSphere radius="2.21000000" gridPoints="731" logIncrement=".01700000"/>
<atomicCutoffs lmax="8" lnonsphr="6"/>
<energyParameters s="4" p="4" d="3" f="4"/>
......
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