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- Tue Aug 19, 2014 7:24 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Wave functions from _WFK file
- Replies: 0
- Views: 2500
Wave functions from _WFK file
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 ...