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File:WanF-BaTiO3.png

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Summary

Description Maximally Localized Wannier Function for 3p-like band of Titanium in Barium Titanate (BaTiO3). Different planes correspond to different iso-values, the function is real-valued.
The pink atom is Titanium, the red ones are Oxygens; the Barium atom is out of the frame in the position correponding to the vertex opposite to the Titanium's one of the cube formed by the Ti-O bonds.
Date
Source PWSCF, WanT and gOpenMol
Author Lorenzo Paulatto (Paulatz)
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September 2006

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Date/TimeThumbnailDimensionsUserComment
current00:44, 10 November 2006Thumbnail for version as of 00:44, 10 November 2006622 × 681 (87 KB)Paulatz{{Information| |Description = Maximally Localized Wannier Function for 3p-like band of Titanium in Barium Titanate (BaTiO3) |source = [http://www.pwscf.org PWSCF], [http://wannier-transport.org WanT] and [http://www.csc.fi/gopenmol/ gOpenMol] |Date = sept
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