Wannier90 2.0.0

Level of support

Tier 3 NSC will not be able to help you much with this program, either because we lack the in-house experience, or because it is a test installation. In general, these types of installations are untested, and will not be updated unless you send a request to NSC.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

Wannier90 2.0 was released on Oct 14th 2013. The release notes says:

  • 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
  • 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
  • A few bugfixes

How to use

Load the corresponding module:

module load wannier90/2.0.0

The wanner90.x and postwf90.x commands should then be available.