sample_assembly file uploaded

2

1.67 0 0   0 1.67 0   0 0 1.67

H 0  0  0

H 0.5 0.5 0.5

<?xml version="1.0"?>

<!DOCTYPE scatterer>

<!-- mcweights: monte-carlo weights for 3 possible processes:

     absorption, scattering, transmission -->

<!--homogeneous_scatterer

    mcweights="0.333, 0.333, 0.333"

    max_multiplescattering_loops="1"

    -->

<homogeneous_scatterer>

  <KernelContainer average="yes">

  <!--  <Phonon_IncoherentElastic_Kernel dw_core='0.00701434948808*angstrom**2'>

</Phonon_IncoherentElastic_Kernel> -->

    <SQkernel Q-range='1.5*angstrom**-1,11.5*angstrom**-1'>

        <GridSQ histogram-hdf-path="test.h5/S" auto-normalization='1'/>

    </SQkernel>

  </KernelContainer>

</homogeneous_scatterer>

<!-- weights: absorption, scattering, transmission -->

    <rotation>

        <cylinder height="1*mm" radius="1*mm"/>

        <angle>90.*deg</angle>

        <axis beam="1" transversal="0.0" vertical="0.0" />

    </rotation>

rotate(90.0, [1.0, 0.0, 0.0]) {

    cylinder(h = 1.0, r = 1.0, $fn=100, center=true);

}