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Anisotropy
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This test checks the impact of an anisotropric grid on the eigenvalues of a single carbon atom displaced along a diagonal between grid points. The grid used has 20.0 a.u. on a side but has (48,50,52) points in the (x.y,z) directions. This gives an anisotrop ration of 1.083 between the x and z axes. To run the test execute the shell script run.job which will generate the eigenvalue splittings in the files eigs_alt and eigs_standard as well as generating the graph anisotropy.png if xmgrace is installed on the test platform. Depending on the mpi setup on the test platform and the location of your rmg binary you may have to edit the script.