rotating a standard cell?


by dipole
Tags: cell, rotating, standard
dipole
dipole is offline
#1
Jan16-13, 02:14 PM
P: 418
Hi, I have a standard cell which I would like to rotate. I would like to rotate it in such a way such that when I define some plane in the unrotated cell [hkl] that this same plane corresponds to the [001] plane in the rotated cell. I essentially want to keep the same unit cell, just rotate the atomic positions inside it so the cleavage plane I have defined corresponds to the face of the cell.

How could I go about doing this? Any help, even just a link to more info is appreciated!
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Kholdstare
Kholdstare is offline
#2
Jan20-13, 03:45 PM
P: 390
You can try using linear transformation matrix.

http://en.wikipedia.org/wiki/Transformation_matrix


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