[Wannier] How to reduce neighbors for Hamiltonian in Wannier basis ? :: HR_PLOT

[nicolas poilvert]

If I remember correctly, using the "cut" mode will simply
tell the code to truncate the real-space hamiltonian matrix
and then use it for interpolating the bands. But the truncation
is internal to the code, it does not modify the full hamiltonian
matrix when you print it.

Nicolas

On Thu, Apr 7, 2011 at 12:25 PM, Martin Gmitra <martin.gmitra at gmail.com>wrote:

> Dear Nicola,
>
> Thanks for your suggestion. I have set  bands_plot_mode=cut but playing
> with
> dist_cutoff does not introduce any change to Hamiltonian = seedname_hr.dat.
> What is than wrong?
> Martin
>
>
>
> On Thu, Apr 7, 2011 at 3:11 PM, Nicola Marzari <marzari at mit.edu> wrote:
> >
> > Dear Martin,
> >
> > from previous emails of Y-S Lee:
> >
> > 1) the hamiltonian is in a wannier basis, each characterized by a wannier
> > center -
> > so set bands_plot_mode=cut and choose dist_cutoff appropriately.
> >
> > 2) The indeces refer to the final MLWFs, as labeled in the output
> >
> > Not sure about the units...
> >
> >                nicola
> >
> >
> >
> > On 4/7/11 12:17 PM, Martin Gmitra wrote:
> >>
> >> Dear Wannier90 users,
> >>
> >> We are interested to compare Hamiltonian in Wannier basis with a
> >> simple tight-binding
> >> nearest-neighbors model. My question is -- how one can reduce number
> >> of Wigner-Seitz
> >> grid-points nrpts such that resulting Hamiltonian (seedname_hr.dat)
> >> includes nearest
> >> neighbors only?
> >>
> >> Second question I do have is -- what are the units of the Hamiltonian
> >> matrix elements
> >> in the seedname_hr.dat file?
> >>
> >> With Best regards,
> >> Martin Gmitra
> >> _______________________________________________
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> >
> >
> > --
> > ---------------------------------------------------------------------
> > Prof Nicola Marzari   Department of Materials Science and Engineering
> > 13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
> > tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu
> >
> >
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-- 
POILVERT Nicolas
PhD candidate,
Dpt of Materials Science and Engineering
Massachusetts Institute of Technology
77, Massachusetts avenue
Cambridge, MA 02139
USA
work: (617) 452-4212
nicolas.poilvert at gmail.com
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