Image:WanF-BaTiO3.png

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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.
Source

PWSCF, WanT and gOpenMol
Date

september 2006
Author

Lorenzo Paulatto (Paulatz)
Permission
(Reusing this image)
I, the copyright holder of this work, have published or hereby publish it under the following license:
GNU head Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation license, Version 1.2 or any later version published by the Free Software Foundation; with no Invariant Sections, no Front-Cover Texts, and no Back-Cover Texts. A copy of the license is included in the section entitled "GNU Free Documentation license".

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File history

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Date/TimeDimensionsUserComment
current00:44, 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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