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 : 35This will draw a powder diffraction pattern (just rings, really) and 11 zone axis diffraction patterns (kinematical) with extinctions indicated and reflections labeled.
