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                       WANNIER90
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 The Maximally-Localised Generalised Wannier Functions Code 

v1.2 (14th Jan 2010)

* The information written to the file seedname_hr.dat (the Hamiltonian
  in the WF basis) has been extended to include the number of WF (num_wann),
  the number of Wigner-Seitz points (nrpts) and the degeneracy of each point
  (ndegen). 
* The information contained in seedname.chk has been extended to
  include the number of bands (num_bands), the number of excluded
  bands (num_exclude_bands), the excluded band indices (exclude_bands)
  and the Monkhorst-Pack grid dimensions (mp_grid). As a result
  v1.2 is not compatible with checkfiles written with older versions of 
  the code.
* Automated lcr transport calculations from a single supercell.
  Includes robust sorting and Wannier function parity determination
  algorithms (new input variables: tran_num_cell_ll, tran_num_cell_rr,
  tran_group_threshold, easy_fix)
* Added examples 14, 15 to tutorial to displaying new lcr transport
  functionality
* Updated interface to PWscf v4.1.2 (new input variable write_unkg)
* New utility: PL_assessment. Investigates principal layer size 
  from bulk transport, many k-point lead calculations.
* Altered <seedname>_centres.xyz output file to include atomic
  positions in transport calculations
* Fixes for tran_num_cell_ll=1 in tran_hr_one_dim_cut
* Minor bug fixes
* Addition of Matthew Shelley and Nicolas Poilvert as contributors.
* Report of estimated memory usage
* Improved memory efficiency
 
v1.1 (21st Dec 2007)

* Addition of specific algorithms for when only Gamma-point 
  sampling is used (new input variable: gamma_only)
* Addition of routines for quantum transport and DoS calculations
  (new input variables: transport, transport_mode, etc.)
* Option to write out hamiltonian matrix elements in the Wannier 
  function basis (new input variable: hr_plot)
* Option to set a convergence threshold for localisation procedure
  (new input variables: conv_tol, conv_window)
* Improved minimisation algorithms for localisation routines
  (new input variables: conv_noise_amp, conv_noise_num)
* Option to specify the number of shells that are searched to find
  nearest neighbour b-vectors (new input variable: search_shells)
* Option to plot bandstructures in xmgrace format (bands_plot_format=xmgrace)
* Option to plot Wannier functions in cube format (wannier_plot_format=cube) 
  -- works for isolated molecules, further testing for periodic systems is 
  required -- significantly reduces WF file-size  
  (new input variable: wannier_plot_radius) 
* Optional capability to specify some projections in input file and
  have the remaining centres chosen randomly by the code
* Checkpointing and restarts all done via the .chk file (_um.dat file
  now obsolete)
* Further enhancements to the way projections are specified
* Option to map Wannier functions onto bandstructure
  (new input variable: bands_plot_project)
* Option to have spinor Wannier functions
  (new input variable: spinors)
* A few new tutorial examples
* Improvements to "library mode" functionality

v1.0.2 (1st Dec 2006)

* Addition of "library mode" functionality
* Introduction of "range vectors" for specifying exclude_bands and 
  wannier_plot_list in input file
* Option to specify random projections
* Option to use Bloch phases for initial projections
* Addition of timing_level input flag to control how much timing
  information is outputted
* Option to translate final centres to the home unit cell
* Option to write final centres in xyz format
* Acceleration of disentanglement procedure
* Speed-up of localisation routines
* Improved robustness of plotting routines

v1.0.1 (17th May 2006)

* Bug fix in wannierise minimiser - caused poor convergence in large systems
* Increase precision of k-points in *.nnkp file
* More robust selection of eigenvectors in disentanglement (dis_proj_froz)
* Addition of write_proj keyword -- outputs projection of original bands 
  on final Wannier functions
* Longer strings for atom labels in *.win
* Minor format change to *_bands.dat
* Check restart keyword in *.win