plot_band

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jir520

plot_band

Post by jir520 »

Dear EPW users

I want to plot wannierized band structure, hence I added following to my epw.in file.

wdata(1) = 'bands_plot = .true.'
wdata(2) = 'begin kpoint_path'
wdata(3) = 'G 0.00 0.00 0.00 X 0.00 0.50 0.50'
wdata(4) = 'X 0.00 0.50 0.50 W 0.25 0.75 0.50'
wdata(5) = 'W 0.25 0.75 0.50 K 0.375 0.75 0.375'
wdata(6) = 'K 0.375 0.75 0.375 G 0.0 0.0 0.0'
wdata(7) = 'G 0.0 0.0 0.0 L 0.5 0.5 0.5'
wdata(8) = 'L 0.5 0.5 0.5 U 0.25 0.625 0.625'
wdata(9) = 'U 0.25 0.625 0.625 W 0.25 0.75 0.5'
wdata(10) = 'W 0.25 0.75 0.50 L 0.5 0.5 0.5'
wdata(11) = 'L 0.5 0.5 0.5 K 0.375 0.75 0.375'
wdata(12) = 'end kpoint_path'
wdata(10) = 'bands_plot_format = gnuplot'

But it doesn't change my al.win ( do not have wannier_plot = true or something like that) and doesn't create any "gnu" nor "dat" files.

Can anyone please tell me are those "dat" or "gnu" files I should look for to plot the band structure ? If so what is wrong with my input script?

I highly appreciate your answer.

Thank you
Jayangani
roxana
Posts: 172
Joined: Fri Jan 22, 2016 6:48 pm
Affiliation:

Re: plot_band

Post by roxana »

Hi Jayangani,

I used the exact same format and it has worked for me. I noticed that your last line should be wdata(13). Maybe this is causing the problem?

Best,
Roxana
Roxana Margine
Associate Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York
jir520

Re: plot_band

Post by jir520 »

Dear Roxana

Thank you for the prompt reply. I ll check that.

Jayangani
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