[QE-users] Plotting wavefunction at k points other than zero

Rameswar Bhattacharjee rb1820 at georgetown.edu
Sun Dec 10 00:47:46 CET 2023


Hello everyone,

I'm seeking advice on how to plot a band with sign (lsign = .true.) at
different k-points besides k=0. I'm aware this can be complex due to
the presence of an imaginary part, but I'm wondering if there's a
method to plot the square of the wavefunction's real part while
retaining the sign information.

I would greatly appreciate any suggestions you might have. Thank you!


-- 
Rameswar Bhattacharjee
Georgetown University
Washington, DC 20057


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