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  • Gregor Michalicek's avatar
    Added Bi2Te3XML test. Works. · 287a2f4f
    Gregor Michalicek authored
    Note that the XML version of this test produces other
    results in comparison to the conventional test. This
    is due to a different number of eigenvalues that are
    calculated by default and that enter the second variation
    for the SOC contributions. For the XML code there is a
    minimum number of these eigenvalues that is larger than
    the number calculated by default with the conventional
    FLEUR. This reason for the differences has been verified.
    Note also that the XML version of this test seems to need
    considerably less runtime. The reason for this is unknown.
CMakeLists.txt 1.56 KB