Author Topic: Different phase colors for different transmission eigenchannels  (Read 149 times)

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Offline Jahanzaib

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I'm plotting transmission eigenchannels in QuantumATK using isosurfaces with the BlueRed colormap, where color shows Phase (radians). When I plot two different eigenchannels at the same energy, they show different color/phase patterns even though they're in the same spot on the molecule. Is this normal, or does it mean something is wrong with my setup? Also, if I just want to compare how "big" or "spread out" the two channels are (not their phase), should I be plotting something else instead, like the magnitude/amplitude?

Offline yuby

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Yes, it’s normal. Different transmission eigenchannels can have different phase/colour patterns even in the same molecular region.

BlueRed colour = phase → useful for seeing phase/interference, but not for comparing size.
Isosurface = magnitude/amplitude → this is what you want for comparing how spatially spread out the channels are.
Use the same isovalue for both channels when comparing their spatial extent.
For a quantitative comparison, use \(|\psi|^2\) or integrate the magnitude/density over particular regions/atoms.

So: same location + different colours ≠ something wrong.