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

[Martin Gmitra]

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
>> _______________________________________________
>> Wannier mailing list
>> Wannier at quantum-espresso.org
>> http://www.democritos.it/mailman/listinfo/wannier
>
>
> --
> ---------------------------------------------------------------------
> 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
>
>