1. 11 Sep, 2018 1 commit
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    • Gregor Michalicek's avatar
      Add SiLOXML test · 1dd7aea6
      Gregor Michalicek authored
      ...because the other tests involving LOs seem to be not sensitive enough to LO errors.
      1dd7aea6
  10. 20 Apr, 2018 1 commit
  11. 16 Jan, 2018 1 commit
  12. 29 Nov, 2017 1 commit
  13. 16 Nov, 2017 1 commit
    • Gregor Michalicek's avatar
      Remove NiO_ldau test · 50799d23
      Gregor Michalicek authored
      Due to the Fleur behavior change in commit 075d7301
      it did not work any more. The old input file now only supports LDA+U with
      Broyden mixing. No straight mixing of the density matrix is supported with
      the old inp file.
      50799d23
  14. 26 Sep, 2017 1 commit
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  21. 27 Jun, 2017 1 commit
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  23. 03 May, 2017 2 commits
  24. 16 Nov, 2016 1 commit
  25. 12 Oct, 2016 1 commit
  26. 05 Aug, 2016 3 commits
  27. 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.
      287a2f4f
  28. 03 Aug, 2016 1 commit
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