[Wannier] Fail to generate Hamiltonian matrix in example01

Jian-Xin Zhu jxzhu at lanl.gov
Sun Aug 1 18:43:29 CEST 2010


Dear All,

I just got into the examples/example01 in wannier90-1.2.
The code runs fine. If I simply add a few lines at the end
of gaas.win

wannier_plot = true
wannier_plot_list = 1
hr_plot = true
#restart = wannierise

and re-do
wannier90.x gaas

a file gaas_hr.dat is created.

However, after I open it, I see something strange --- there are many  
"*" in the rightmost column.
Some portion of the content in file gaas_hr.dat file is shown below.



  written on  1Aug2010 at 09:37:46
            4
           19
     6    2    2    6    2    6    2    2    2    1    2    2    2     
6    2
     6    2    2    6
    -1   -1    1    1    1************************
    -1   -1    1    2    1************************
    -1   -1    1    3    1************************
    -1   -1    1    4    1************************
    -1   -1    1    1    2************************
    -1   -1    1    2    2************************
    -1   -1    1    3    2************************
    -1   -1    1    4    2************************
    -1   -1    1    1    3************************
    -1   -1    1    2    3************************
    -1   -1    1    3    3************************
    -1   -1    1    4    3************************
    -1   -1    1    1    4************************
    -1   -1    1    2    4************************
    -1   -1    1    3    4************************
    -1   -1    1    4    4************************
    -1    0    0    1    1************************
    -1    0    0    2    1************************
    -1    0    0    3    1************************
    -1    0    0    4    1************************
    -1    0    0    1    2************************
    -1    0    0    2    2************************
    -1    0    0    3    2************************
    -1    0    0    4    2************************
    -1    0    0    1    3************************
    -1    0    0    2    3************************
    -1    0    0    3    3************************
    -1    0    0    4    3************************
    -1    0    0    1    4************************
    -1    0    0    2    4************************
    -1    0    0    3    4************************
    -1    0    0    4    4************************
    -1    0    1    1    1************************
    -1    0    1    2    1************************
    -1    0    1    3    1************************
    -1    0    1    4    1************************
    -1    0    1    1    2************************
    -1    0    1    2    2************************
    -1    0    1    3    2************************

....


Have I made a severe mistake here?

Thanks,

Jianxin








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