1. 27 Feb, 2019 1 commit
  2. 22 Feb, 2019 1 commit
  3. 12 Feb, 2019 1 commit
    • Davide Ceresoli's avatar
      1) Added ./configure options to compile and link with libxc: · d84cd35e
      Davide Ceresoli authored
        --with-libxc            (yes|no) Use libXC for some XC functionals (default:
                                no)
        --with-libxc-prefix=DIR Directory where libxc was installed.
        --with-libxc-include=DIR
                                Directory where libxc Fortran headers were
                                installed.
      
      2) If you set input_dft='functional+META', (i.e. 'pbe+meta'), you can now
         perform a nscf/bands calculation using a potential-only MGGA functional
         (such as TB09).
      d84cd35e
  4. 11 Feb, 2019 1 commit
  5. 13 Jan, 2019 1 commit
  6. 11 Dec, 2018 1 commit
  7. 10 Dec, 2018 1 commit
  8. 28 Nov, 2018 1 commit
  9. 22 Nov, 2018 2 commits
  10. 21 Nov, 2018 1 commit
  11. 23 Oct, 2018 1 commit
  12. 20 Oct, 2018 1 commit
  13. 17 Oct, 2018 1 commit
  14. 16 Oct, 2018 1 commit
    • Samuel Poncé's avatar
      Cleaning and optimization in EPW · dd817a57
      Samuel Poncé authored
      1) Complete re-writing of the IBTE (at least an order of magnitude faster).
      2) Supporting both k-point symmetry and no-symmetry
      3) Creating of a few new modules
      4) Addition of a epw_mob_ibte_sym for testing the IBTE using k-point symmetry.
      Both epw_mob_ibte_sym and epw_mob_ibte should give the same result but
      epw_mob_ibte_sym is much faster.
      dd817a57
  15. 02 Oct, 2018 1 commit
  16. 18 Sep, 2018 1 commit
  17. 07 Sep, 2018 1 commit
  18. 29 Aug, 2018 1 commit
  19. 03 Aug, 2018 1 commit
  20. 17 Jul, 2018 1 commit
  21. 11 Jul, 2018 1 commit
  22. 03 Jul, 2018 1 commit
  23. 01 Jul, 2018 1 commit
    • Pietro Delugas's avatar
      F90 flags passed to fox config in a cleaner way · 8f0669bc
      Pietro Delugas authored
      exporting all QE F90 compilers flags may not work in many situations:
      
      now a FOX_FLAGS is defined in make.inc, this is passed to FoX configure.
      The content of this flag is set during configuration.
      The configure script exports a @foxflags@ variable
      which may be filled as needed. To program  the possible  content of the variable
      one has to edit the m4/x_ac_qe_f90.m4  script.
      As for now the only case when it is needed, is with the  PGFORTRAN compiler,
      when the -Mlarge_arrays is set, in this for the FoX library to be
      compatible it is necessary to compile also FoX with the same flag.
      8f0669bc
  24. 30 Jun, 2018 1 commit
  25. 29 Jun, 2018 1 commit
  26. 28 Jun, 2018 1 commit
  27. 18 Jun, 2018 1 commit
  28. 15 Jun, 2018 1 commit
  29. 08 Jun, 2018 1 commit
  30. 27 May, 2018 1 commit
  31. 15 May, 2018 1 commit
  32. 09 May, 2018 1 commit
  33. 18 Apr, 2018 1 commit
  34. 16 Apr, 2018 1 commit
  35. 10 Apr, 2018 1 commit
  36. 06 Apr, 2018 1 commit
  37. 05 Apr, 2018 1 commit
  38. 26 Mar, 2018 1 commit
  39. 15 Mar, 2018 1 commit