EMzap - EMsoft-org/EMsoft GitHub Wiki

Program: EMzap

This is a utility program to draw one or more kinematical zone axis diffraction patterns (for TEM) for a given crystal structure and microscope voltage. Typical program input/output is shown here for the GaAs structure:


  Enter xtal file name : GaAs.xtal
ReadDataHDF: There is no Source data set in this structure file
 Enter the microscope accelerating voltage [kV, R] : 200.

 The following scattering factor sets are available :

  [1] Doyle-Turner/Smith-Burge (no absorption)
  [2] Weickenmeier-Kohl (no absorption)
  [3] Weickenmeier-Kohl (with absorption)

 Which set do you want to use [1/2/3] ? 3
Mean inner potential [V] 0.2108E+02
 Wavelength corrected for refraction
Relativistic correction factor [gamma] 0.1391E+01
Relativistic Accelerating Potential [V] 0.2392E+06
Electron Wavelength [nm] 0.2508E-02
Interaction constant [V nm]^(-1) 0.7288E-02
  Camera length L  [mm, real] 1200.
  Enter Postscript file name : test.ps
wavelength [nm] =   2.50782352E-03
 L         [mm] =   1200.00000    
camera length lambda*L [mm nm] =   3.00938821    
 logarithmic[0] or exponential[1] intensity scale 1
->Total number of direction families =          40
List of available zone axis patterns
  1 [  1  0  0];  2 [  1  1  0];  3 [  1  1  1];  4 [  2  1  0];
  5 [  2  1  1];  6 [  2  2  1];  7 [  3  1  0];  8 [  3  1  1];
  9 [  3  2  0]; 10 [  3  2  1]; 11 [  3  2  2]; 12 [  4  1  0];
 13 [  4  1  1]; 14 [  3  3  1]; 15 [  4  2  1]; 16 [  3  3  2];
 17 [  4  3  0]; 18 [  5  1  0]; 19 [  4  3  1]; 20 [  5  1  1];
 21 [  4  3  2]; 22 [  5  2  0]; 23 [  5  2  1]; 24 [  5  2  2];
 25 [  4  4  1]; 26 [  4  3  3]; 27 [  5  3  0]; 28 [  5  3  1];
 29 [  5  3  2]; 30 [  5  4  0]; 31 [  4  4  3]; 32 [  5  4  1];
 33 [  5  3  3]; 34 [  5  4  2]; 35 [  5  4  3]; 36 [  5  5  1];
 37 [  5  5  2]; 38 [  5  4  4]; 39 [  5  5  3]; 40 [  5  5  4];


Enter selection (e.g. 4,10-20, ... )
[Include 0 to also draw a powder pattern]
 -> 0,1-11
 No indices (0), labels (1), extinctions (2), labels + extinctions (3): 3
Creating Powder Pattern
Creating ZAP[  1  0  0] :  Number of reflections :         137
Creating ZAP[  1  1  0] :  Number of reflections :          97
Creating ZAP[  1  1  1] :  Number of reflections :          85
Creating ZAP[  2  1  0] :  Number of reflections :          57
Creating ZAP[  2  1  1] :  Number of reflections :          51
Creating ZAP[  2  2  1] :  Number of reflections :          43
Creating ZAP[  3  1  0] :  Number of reflections :          41
Creating ZAP[  3  1  1] :  Number of reflections :          39
Creating ZAP[  3  2  0] :  Number of reflections :          35
Creating ZAP[  3  2  1] :  Number of reflections :          35
Creating ZAP[  3  2  2] :  Number of reflections :          35

This will draw a powder diffraction pattern (just rings, really) and 11 zone axis diffraction patterns (kinematical) with extinctions indicated and reflections labeled.

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