1. 04 Aug, 2016 1 commit
    • 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.