1. 11 Apr, 2018 1 commit
  2. 05 Apr, 2018 1 commit
  3. 04 Apr, 2018 4 commits
  4. 29 Mar, 2018 2 commits
  5. 02 Mar, 2018 1 commit
  6. 28 Feb, 2018 1 commit
  7. 26 Feb, 2018 1 commit
  8. 20 Oct, 2017 1 commit
  9. 22 Sep, 2017 1 commit
  10. 18 Sep, 2017 1 commit
    • Daniel Wortmann's avatar
      Refactoring of xcpot data type: · df91b524
      Daniel Wortmann authored
      -removing of variable icorr, use of member-functions instead
      -removal of icorrkeys module
      -removal of hybridmix module
      -cleanup at several places
      df91b524
  11. 06 Sep, 2017 1 commit
  12. 09 Aug, 2017 1 commit
  13. 04 Aug, 2017 1 commit
  14. 03 Aug, 2017 1 commit
  15. 14 Jul, 2017 1 commit
  16. 21 Jun, 2017 1 commit
  17. 04 May, 2017 1 commit
  18. 17 Jan, 2017 1 commit
  19. 16 Jan, 2017 1 commit
    • Daniel Wortmann's avatar
      Several changes: · 894fb095
      Daniel Wortmann authored
      - made l_zref a local variable no longer in type sym
      - changed the setup of the parallelization (mpi/mpimakegroups is obsolete)
      - added new command line switches yet to be documented :-)
      894fb095
  20. 20 Dec, 2016 1 commit
  21. 25 Nov, 2016 1 commit
  22. 23 Nov, 2016 1 commit
    • Gregor Michalicek's avatar
      Introduced alternative construction of IBZ. · 0b0d3fb6
      Gregor Michalicek authored
      Since the routine brzone featured many bugs that occured in special
      cases I now reprogrammed the functionality of the routine in the
      new subroutine brzone2. The new algorithm is simpler and should
      be less vulnerable to the mentioned special cases. It also is slightly
      slower. The new routine takes about 2 seconds.
      
      By commenting the new routine out and the old one in both algorithms
      can directly be interchanged.
      0b0d3fb6
  23. 16 Nov, 2016 1 commit
  24. 07 Oct, 2016 1 commit
  25. 02 Sep, 2016 1 commit
  26. 01 Sep, 2016 1 commit
  27. 30 Aug, 2016 1 commit
  28. 14 Jul, 2016 1 commit
  29. 24 Jun, 2016 1 commit
  30. 15 Jun, 2016 1 commit
  31. 14 Jun, 2016 1 commit
  32. 08 Jun, 2016 1 commit
  33. 31 May, 2016 1 commit
  34. 24 May, 2016 1 commit
  35. 13 May, 2016 1 commit
    • Gregor Michalicek's avatar
      Initial introduction of the loading of inp.xml by fleur · ad4ad915
      Gregor Michalicek authored
      For very simple test systems fleur can now use the inp.xml file
      as an input. Note, however, that the functionality is still
      very incomplete. Therefore, preliminary fleur has to be invoked
      with -xmlInput to make use of inp.xml.
      
      Besides the feature incompleteness it is expected that there are
      still some bugs in loading inp.xml. So far it is
      only tested for Si and Fe. For Fe a small deviation from the
      reference total energy is observed (0.03 mHtr), the magnetic
      moments are off by 0.003. The cause is yet unknown.
      ad4ad915
  36. 28 Apr, 2016 1 commit