Dear QE Users, I have attempting to produce a “Fatbands” plot to understand the orbital contributions to the bands in the material I’m studying. I’m completing a non-collinear, spin-orbit coupled bands calculation using pw.x, using bands.x to produce the bands and then projwfc.x to get the projections onto the bands. However, when I try to use bandplot.x to produce the actual plots, I get an error
"file with projections not compatible with bands” Looking at the plotband.f90 code, this suggests that nbnd != nbnd_rap and nks != nks_rap, but quick grep shows otherwise: ./bands.out: &plot nbnd= 60, nks= 53 / ./bands.out.rap: &plot_rap nbnd_rap= 60, nks_rap= 53 / Does anyone have any insight into what I could be doing wrong? I’ve attached my bash script that I’ve modeled off of Christoph Wolf’s to show what I am doing. Thank you, Rishi Bhandia Graduate Student - Johns Hopkins University
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