[Wannier] seedname.dat not generated
a.mostofi at imperial.ac.uk
Fri Jan 27 12:38:01 CET 2012
This extra output file (*.dat) must be a feature of the implementation
of the interface in Abinit.
Wannier90 writes the spreads to the main output file (*.wout). Also, if
you set "write_proj = .true." in the input file (*.win), then the
projection of each WF on the original bands in the outer window are
written to the main output file as well. With this information, you
should be able to achieve what you want.
Dr Arash A Mostofi
Departments of Materials and Physics
Deputy Director, CDT on Theory and Simulation of Materials
Imperial College London, London SW7 2AZ, UK
+44 (0)207 594 8154 | www.cmth.ph.ic.ac.uk/people/a.mostofi
On 20/01/2012 00:45, Antonio Cammarata wrote:
> Dear All,
> I'm performing calculations on a perovskite structure using VASP.
> I got the MLWF and the band structure for my system and I tried to
> visualize the Wannier Centers using the seedname_centres.xyz file.
> I saw in this website:
> at the section "Visualizing the results with V_Sim"
> that each center can be colored depending on its occupation and
> represented by a sphere with a radius proportional to its spread. This
> can be done by means of the seedname.dat file that is generated by
> Wannier90. My problem is that I do not get this file, neither there is
> some keyword to generate it (such file is not even mentioned in the
> wannier90 user manual). How can I generate this file?
> Thanks a lot in advance for your kind reply.
> All the best
> Antonio Cammarata
> Wannier mailing list
> Wannier at quantum-espresso.org
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