[Wannier] Wannier90 v2.0.0 released

[Jonathan Yates]

Dear Wannier90 Users,

 Version 2.0.0 of Wannier90 is now available from www.wannier.org

 A summary of changes from v1.2 is given below. The change in major version number is due to the large amount of new functionality that has been added to the code for this release. In particular there are new parallel routines for computing properties in the wannier basis including; wannier projected dos, Boltzmann transport equation in the relaxation time approximation (Boltzwann) and Berry phase properties such as Berry Curvature, Anomalous Hall conductivity and orbital magnetisation. We hope that these routines will provide a good platform for the community to develop new functionality.

Finally, we wish to thank R. Sakuma who has made available the code used to generate symmetry-adapted wannier functions in Phys. Rev. B 87 235109 (2013). This can be downloaded from www.wannier.org Please note that this is a modified version of wannier90 v1.2, although we hope to fully integrate it to the main code in the near future.

 Jonathan Yates (on behalf of the Wannier90 developers)


* Added the new (parallel) postw90.x executable for calculations which use
  the MLWFs calculated by wannier90.x as an input.
* Added the following postw90.x modules:
  - dos
  - berry
  - kpath
  - kslice
  - BoltzWann
  - geninterp
* Added the w90chk2chk.x utility to convert the checkpoint file between
  the formatted/unformatted formats, to move it between different computers
  with different architectures
* Added the w90vdw utility to calculate van der Waals energies with MLWFs
* Added the w90pov utility to render ray-traced isosurfaces using POV-Ray
* Updated interface to PWscf v5.0 (including a minor bug fix to the 
  definition of the projection functions).
* Changed the internal format of the checkpoint file (not compatible anymore
  with v.1.2 and earlier)
* Enabled very general specification of spinor projections
* Generalized the definition of the supercell for real-space plotting of
  the Wannier functions: now the supercell size (wannier_plot_supercell)
  can be different along the three directions. Moreover, the home cell
  is left approximately at the center of the supercell, rather than near
  one of its edges.
* Now it is possible to provide both 'seedname' and 'seedname.win' on the 
  command line, both will work
* Tabs can now be present in the input file without problems
* A few bugfixes



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Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
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