[Wannier] ndegen variable in plot.F90

[Gianluca Giovannetti]

Ciao Massimo,

dopo aver lottato a lungo con questa storia dell` interfaccia ho scritto a
dei giapponesi che usano anche loro wannier90 per tirare fuori la matrice
ridotta. ho dubbi che ci sia qualcosa di sbagliato nell`interpretazione
delle uscite di Wannier.
ti faccio sapere.

ciao

G.

On Wed, Mar 10, 2010 at 2:39 PM, Gianluca Giovannetti <
gianluca.giovannetti at gmail.com> wrote:

> Dear All,
>
> in the file plot.F90 of Wannier i see a piece:
>
>
>     do loop_kpt=1,total_pts
>        ham_kprm=cmplx_0
>        if (index(bands_plot_mode,'s-k').ne.0) then
>           do loop_rpt=1,nrpts
>
> rdotk=twopi*dot_product(plot_kpoint(:,loop_kpt),irvec(:,loop_rpt))
>              fac=exp(cmplx_i*rdotk)/real(ndegen(loop_rpt),dp)
>              ham_kprm=ham_kprm+fac*ham_r(:,:,loop_rpt)
>           end do
>        elseif (index(bands_plot_mode,'cut').ne.0) then
>           do loop_rpt=1,nrpts_cut
>
> rdotk=twopi*dot_product(plot_kpoint(:,loop_kpt),irvec_cut(:,loop_rpt))
> !!$[aam] check divide by ndegen?
>              fac=exp(cmplx_i*rdotk)
>              ham_kprm=ham_kprm+fac*ham_r_cut(:,:,loop_rpt)
>           end do
>        else
>
>
> what it is "ndegen" variable?
>
> Once i get the H(n,m,R) in the file _hr.dat (in which are printed
> irvec(:,loop_rpt) and ham_r(:,:,loop_rpt)  as coded  in hamiltonian.F90)  i
> usually work  postprocessing it and  i can get the correct Fourier Trasform
> (i can check the bands structure for example) only if i use ndegen as above
> (the values of this variable can be printed out with "iprint =3").
>
> this variable ndegen is updated in hamiltonian.F90  at the subroutine
> hamiltonian_wigner_seitz(count_pts)  but i have problem to understand what
> it is.
> could you give me some more details?
>
> thank you.
>
> Gianluca
>
>
>
>
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