1. 26 Feb, 2018 1 commit
  2. 11 Jan, 2018 1 commit
  3. 30 Nov, 2017 1 commit
    • Gustav Bihlmayer's avatar
      Update mapatom.F90, hsmt_extra.F90 and vec_for_lo.f90 to ensure a complex matrix setup · 5bf8da4d
      Gustav Bihlmayer authored
      with invsatom=0 etc. in case of LDA+U and SOC. Furthermore the i_u counter was reset
      for more that one atom per type in hsmt_extra.F90. l_lo1 and some fix spin-spiral + LO
      in pathological cases introduces in vec_for_lo.f90. The "scalar relativistic" energy
      parameter calculation for LO's was introduced in lodpot.f90. This will change the
      total energy in some test cases.
      5bf8da4d
  4. 26 Sep, 2017 1 commit
  5. 04 Aug, 2017 1 commit
  6. 12 Jul, 2017 1 commit
  7. 26 Jun, 2017 1 commit
  8. 17 Jan, 2017 1 commit
  9. 07 Oct, 2016 1 commit
  10. 26 Sep, 2016 1 commit
  11. 10 Aug, 2016 1 commit
    • Gregor Michalicek's avatar
      Probably corrected a bug in hlomat call. · 4f84d0a8
      Gregor Michalicek authored
      I compared the calls to hlomat to those of an old
      reference fleur version and realized that depending on the
      call some array indices were different. I corrected them such
      that they correspond to the old version. None of the test
      cases seems to be affected by this so maybe a test case should
      be written that is sensitive to these calls.
      
      To me the discrepancies to the old reference fleur version
      looked like a copy&paste error when the calls were rewritten
      with the new types. Therefore I corrected it.
      4f84d0a8
  12. 29 Jun, 2016 1 commit
  13. 29 Apr, 2016 1 commit
  14. 26 Apr, 2016 1 commit