1. 16 Oct, 2014 1 commit
  2. 10 Oct, 2014 1 commit
  3. 02 Oct, 2014 1 commit
  4. 04 Aug, 2014 2 commits
  5. 31 Jul, 2014 2 commits
  6. 22 Jul, 2014 3 commits
  7. 14 Jul, 2014 1 commit
  8. 08 Jul, 2014 2 commits
    • giannozz's avatar
      bands.x writes a file filband.'gnu' with bands in plottable format (by gnuplot · e9560a7d
      giannozz authored
      or xmgrace or whatever plotting program). Saves a step (the plot_bands.x run)
      when plotting bands: useful for tutorials ... 
      
      
      git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11076 c92efa57-630b-4861-b058-cf58834340f0
      e9560a7d
    • giannozz's avatar
      Added TB09 functional, from libxc, courtesy of Eric Germaneau. · c1b72fa4
      giannozz authored
      Added two small files from libxc. Compile with -D__LIBXC, link with libxc:
      -L/dir/where/libxc/is -lxcf90 -lxc
      User guides updated with a reshuffling of names: contributors to all of QE
      (in particular, most functionals) are listed in the user guide of QE and
      not in the one of PW. make.depend updated
      
      This is just to avoid that the work done is lost. It should be a first step 
      towards better organization of XC functionals. We should seriously consider
      one of the following options:
      1. move to libxc, getting rid of all duplicated functionals, keeping only
         those that are not available in libxc;
      2. add the possibility to use any functional from libxc (currently only a few
         can be used). This may require serious restructuring work in our XC
         functional (il-)logic, that has become clumsy, obscure and redundant
      
      
      git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11075 c92efa57-630b-4861-b058-cf58834340f0
      c1b72fa4
  9. 28 Jun, 2014 1 commit
  10. 27 Jun, 2014 4 commits
  11. 24 Jun, 2014 1 commit
  12. 10 Jun, 2014 1 commit
  13. 08 Jun, 2014 1 commit
  14. 29 May, 2014 1 commit
  15. 23 May, 2014 1 commit
  16. 21 May, 2014 1 commit
  17. 19 May, 2014 1 commit
  18. 16 May, 2014 1 commit
  19. 15 May, 2014 1 commit
  20. 07 May, 2014 1 commit
  21. 24 Apr, 2014 1 commit
  22. 16 Apr, 2014 1 commit
  23. 15 Apr, 2014 1 commit
    • pizzi's avatar
      Committed the new pw2wannier interface, distributed already · 47a6910e
      pizzi authored
      within Wannier90 for the 5.0.x versions, with the necessary
      updates to make it work in the most recent SVN (mainly 2*
      factor in davcio, and explicit communicators in the MPI
      calls). It includes the new features as spinor-projections,
      and the evaluation of the matrix elements needed for the
      calculation of spin and orbital magnetization.
      
      Also includes a couple of bugfixes to the 'library' mode of
      the interface (that probably nobody is using...).
      
      
      git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10880 c92efa57-630b-4861-b058-cf58834340f0
      47a6910e
  24. 01 Apr, 2014 2 commits
  25. 30 Mar, 2014 1 commit
  26. 28 Mar, 2014 3 commits
  27. 27 Mar, 2014 1 commit
  28. 24 Mar, 2014 2 commits