Level of support
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 firstname.lastname@example.org 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:
- 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
postwf90.x commands should then be available.