Hello,
if I run the cut3d program on a _WFK file choosing "option 11" (XCrysden format) to get a single wave function, do I actually get a |Psi|^2 in XCrysden 3D plot that corresponds to what I can call a partial charge density? If not, then how can I get the partial charge for a chosen K point and Energy?
Secondly, can I get the real and imaginary data from "option 4" and do something like: abs [ complex (real-part, imaginary-part) ]^2 to get the proper |Psi|^2?
Chris
Wave functions from _WFK file
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