[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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