[Wien] Energy/band/atom decomposition of electronic polarization?

Laurence Marks L-marks at northwestern.edu
Wed Sep 14 12:55:05 CEST 2016


Does anyone know if there is a way to decompose the electronic polarization
to determine which energy range/band(s) or even atom matter? (By atom is
probably unreasonable.) Maybe a tweak of the flow of berrypi, or some
Wannier90 manipulation (or something else)?

---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
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Co-Editor, Acta Cryst A
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