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EMlistTC

Marc DeGraef edited this page Jan 14, 2019 · 1 revision

Program EMlistTC

This program takes a crystal structure file and a texture component as input and lists all the equivalent texture components along with their various rotation representations.

The example below lists the equivalent texture components for the alpha-titanium crystal structure and the {1 0 -1 0}<1 1 -2 0> texture component. Note that there are 12 equivalent texture component symbols, and that TC 10 in the list corresponds to the rotation that fall inside the fundamental zone for this crystal system.

...
  Enter xtal file name : Ti-alpha.xtal

 Enter the texture component symbol {hk.l}<uvtw>
  (This structure uses the hexagonal indexing system!)

    Enter the three-index planar indices {hkl} 1,0,0
    Enter the four-index direction indices <uvtw> 1,1,-2,0
   ---> in three index notation:[   3   3   0]

 Determining unique texture components
    Multiplicity of {hkl} : 6
    Multiplicity of <uvw> : 6
 There are  12 equivalent texture components.

-------
 TC  1  -->  (  1  0 .   0) [  1 -2  1  0]
Euler angles                     :   0.0000000   90.0000000   60.0000000 
Axis angle pair [n; angle]       :  -0.7745967    0.4472136   -0.4472136 ;  104.4775122
Rodrigues vector                 :      -1.0000000        0.5773503       -0.5773503 
Homochoric representation        :  -0.6680216    0.3856824   -0.3856824 
Cubochoric representation        :  -0.6951007    0.5076187   -0.5076187 
Quaternion                       :   0.6123724   -0.6123724    0.3535534   -0.3535534 
Stereographic                       : -0.3798   0.2193  -0.2193 
                                   /  0.5000   0.0000   0.8660 \
Orientation Matrix               : | -0.8660   0.0000   0.5000 |
                                   \  0.0000  -1.0000   0.0000 /


-------
 TC  2  -->  (  1  0 .   0) [ -1  2 -1  0]
Euler angles                     : 180.0000000   90.0000000   60.0000000 
Axis angle pair [n; angle]       :   0.3779645    0.6546537    0.6546537 ;  138.5903779
Rodrigues vector                 :       1.0000000        1.7320508        1.7320508 
Homochoric representation        :   0.4144098    0.7177788    0.7177788 
Cubochoric representation        :   0.5476194    0.8837143    0.8837143 
Quaternion                       :   0.3535534    0.3535534    0.6123724    0.6123724 
Stereographic                       :  0.2612   0.4524   0.4524 
                                   / -0.5000   0.0000   0.8660 \
Orientation Matrix               : |  0.8660   0.0000   0.5000 |
                                   \  0.0000   1.0000   0.0000 /


-------
 TC  3  -->  ( -1  1 .   0) [  1  1 -2  0]
Euler angles                     :   0.0000000   90.0000000  300.0000000 
Axis angle pair [n; angle]       :  -0.7745967   -0.4472136    0.4472136 ;  104.4775122
Rodrigues vector                 :      -1.0000000       -0.5773503        0.5773503 
Homochoric representation        :  -0.6680216   -0.3856824    0.3856824 
Cubochoric representation        :  -0.6951007   -0.5076187    0.5076187 
Quaternion                       :   0.6123724   -0.6123724   -0.3535534    0.3535534 
Stereographic                       : -0.3798  -0.2193   0.2193 
                                   /  0.5000   0.0000  -0.8660 \
Orientation Matrix               : |  0.8660   0.0000   0.5000 |
                                   \  0.0000  -1.0000   0.0000 /


-------
 TC  4  -->  ( -1  1 .   0) [ -1 -1  2  0]
Euler angles                     : 180.0000000   90.0000000  300.0000000 
Axis angle pair [n; angle]       :   0.3779645   -0.6546537   -0.6546537 ;  138.5903779
Rodrigues vector                 :       1.0000000       -1.7320508       -1.7320508 
Homochoric representation        :   0.4144098   -0.7177788   -0.7177788 
Cubochoric representation        :   0.5476194   -0.8837143   -0.8837143 
Quaternion                       :   0.3535534    0.3535534   -0.6123724   -0.6123724 
Stereographic                       :  0.2612  -0.4524  -0.4524 
                                   / -0.5000   0.0000  -0.8660 \
Orientation Matrix               : | -0.8660   0.0000   0.5000 |
                                   \  0.0000   1.0000   0.0000 /


-------
 TC  5  -->  ( -1  0 .   0) [  1 -2  1  0]
Euler angles                     : 180.0000000   90.0000000  240.0000000 
Axis angle pair [n; angle]       :   0.7745967   -0.4472136   -0.4472136 ;  104.4775122
Rodrigues vector                 :       1.0000000       -0.5773503       -0.5773503 
Homochoric representation        :   0.6680216   -0.3856824   -0.3856824 
Cubochoric representation        :   0.6951007   -0.5076187   -0.5076187 
Quaternion                       :   0.6123724    0.6123724   -0.3535534   -0.3535534 
Stereographic                       :  0.3798  -0.2193  -0.2193 
                                   /  0.5000   0.0000  -0.8660 \
Orientation Matrix               : | -0.8660   0.0000  -0.5000 |
                                   \  0.0000   1.0000   0.0000 /


-------
 TC  6  -->  ( -1  0 .   0) [ -1  2 -1  0]
Euler angles                     :   0.0000000   90.0000000  240.0000000 
Axis angle pair [n; angle]       :  -0.3779645   -0.6546537    0.6546537 ;  138.5903779
Rodrigues vector                 :      -1.0000000       -1.7320508        1.7320508 
Homochoric representation        :  -0.4144098   -0.7177788    0.7177788 
Cubochoric representation        :  -0.5476194   -0.8837143    0.8837143 
Quaternion                       :   0.3535534   -0.3535534   -0.6123724    0.6123724 
Stereographic                       : -0.2612  -0.4524   0.4524 
                                   / -0.5000   0.0000  -0.8660 \
Orientation Matrix               : |  0.8660   0.0000  -0.5000 |
                                   \  0.0000  -1.0000   0.0000 /


-------
 TC  7  -->  (  0  1 .   0) [ -2  1  1  0]
Euler angles                     : 180.0000000   90.0000000    0.0000000 
Axis angle pair [n; angle]       :   0.0000000   -0.7071068   -0.7071068 ;  180.0000000
Rodrigues vector                 :       0.0000000       -0.7071068       -0.7071068         Infinity 
Homochoric representation        :   0.0000000   -0.9409258   -0.9409258 
Cubochoric representation        :   0.0000000   -1.0725147   -1.0725147 
Quaternion                       :   0.0000000    0.0000000   -0.7071068   -0.7071068 
Stereographic                       :  0.0000  -0.7071  -0.7071 
                                   / -1.0000   0.0000   0.0000 \
Orientation Matrix               : |  0.0000   0.0000   1.0000 |
                                   \  0.0000   1.0000   0.0000 /


-------
 TC  8  -->  (  0  1 .   0) [  2 -1 -1  0]
Euler angles                     :   0.0000000   90.0000000    0.0000000 
Axis angle pair [n; angle]       :  -1.0000000    0.0000000    0.0000000 ;   90.0000000
Rodrigues vector                 :      -1.0000000        0.0000000        0.0000000 
Homochoric representation        :  -0.7536693    0.0000000    0.0000000 
Cubochoric representation        :  -0.6074544    0.0000000    0.0000000 
Quaternion                       :   0.7071068   -0.7071068    0.0000000    0.0000000 
Stereographic                       : -0.4142   0.0000   0.0000 
                                   /  1.0000   0.0000   0.0000 \
Orientation Matrix               : |  0.0000   0.0000   1.0000 |
                                   \  0.0000  -1.0000   0.0000 /


-------
 TC  9  -->  (  0 -1 .   0) [ -2  1  1  0]
Euler angles                     :   0.0000000   90.0000000  180.0000000 
Axis angle pair [n; angle]       :   0.0000000    0.7071068   -0.7071068 ;  180.0000000
Rodrigues vector                 :       0.0000000        0.7071068       -0.7071068         Infinity 
Homochoric representation        :   0.0000000    0.9409258   -0.9409258 
Cubochoric representation        :   0.0000000    1.0725147   -1.0725147 
Quaternion                       :   0.0000000    0.0000000   -0.7071068    0.7071068 
Stereographic                       :  0.0000  -0.7071   0.7071 
                                   / -1.0000   0.0000   0.0000 \
Orientation Matrix               : |  0.0000   0.0000  -1.0000 |
                                   \  0.0000  -1.0000   0.0000 /


-------
 TC 10  -->  (  0 -1 .   0) [  2 -1 -1  0]
Euler angles                     : 180.0000000   90.0000000  180.0000000 
Axis angle pair [n; angle]       :   1.0000000    0.0000000    0.0000000 ;   90.0000000
Rodrigues vector                 :       1.0000000        0.0000000        0.0000000 
Homochoric representation        :   0.7536693    0.0000000    0.0000000 
Cubochoric representation        :   0.6074544    0.0000000    0.0000000 
Quaternion                       :   0.7071068    0.7071068    0.0000000    0.0000000 
Stereographic                       :  0.4142   0.0000   0.0000 
                                   /  1.0000   0.0000   0.0000 \
Orientation Matrix               : |  0.0000   0.0000  -1.0000 |
                                   \  0.0000   1.0000   0.0000 /


  ---> THIS ROTATION LIES INSIDE THE FUNDAMENTAL ZONE.

-------
 TC 11  -->  (  1 -1 .   0) [  1  1 -2  0]
Euler angles                     : 180.0000000   90.0000000  120.0000000 
Axis angle pair [n; angle]       :   0.7745967    0.4472136    0.4472136 ;  104.4775122
Rodrigues vector                 :       1.0000000        0.5773503        0.5773503 
Homochoric representation        :   0.6680216    0.3856824    0.3856824 
Cubochoric representation        :   0.6951007    0.5076187    0.5076187 
Quaternion                       :   0.6123724    0.6123724    0.3535534    0.3535534 
Stereographic                       :  0.3798   0.2193   0.2193 
                                   /  0.5000   0.0000   0.8660 \
Orientation Matrix               : |  0.8660   0.0000  -0.5000 |
                                   \  0.0000   1.0000   0.0000 /


-------
 TC 12  -->  (  1 -1 .   0) [ -1 -1  2  0]
Euler angles                     :   0.0000000   90.0000000  120.0000000 
Axis angle pair [n; angle]       :  -0.3779645    0.6546537   -0.6546537 ;  138.5903779
Rodrigues vector                 :      -1.0000000        1.7320508       -1.7320508 
Homochoric representation        :  -0.4144098    0.7177788   -0.7177788 
Cubochoric representation        :  -0.5476194    0.8837143   -0.8837143 
Quaternion                       :   0.3535534   -0.3535534    0.6123724   -0.6123724 
Stereographic                       : -0.2612   0.4524  -0.4524 
                                   / -0.5000   0.0000   0.8660 \
Orientation Matrix               : | -0.8660   0.0000  -0.5000 |
                                   \  0.0000  -1.0000   0.0000 /

Information for Users

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SEM Modalities     - Monte Carlo Simulations
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Complete Examples

  1. Crystal Data Entry Example
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  8. DItutorial

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