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The local coordinate system is chosen with the z direction defined along the longest (in ab plane) Cu-F bond of the CuF6 octahedron.
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The local coordinate system is chosen with the z direction defined along the longest (in a b plane) Cu-F bond of the CuF 6 octahedron.
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The local coordinate system is chosen such that the GGA Mn3d density matrix has a diagonal form.
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The local coordinate system is chosen such that the GGA Mn 3 d density matrix has a diagonal form.
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