EMqg

Program: EMqg

This utility program can be used to compute Fourier coefficients of the lattice potential as well as extinction distances (xi_g) and absorption lengths (xi_gp); the combined entry in the dynamical matrix is also shown as a real part and an imaginary part (1/q_g). The program asks for a crystal structure, a microscope voltage, and the Miller indices of one or more reflections.

  Enter xtal file name : SrTiO3.xtal
 Enter the microscope accelerating voltage [kV, R] : 200.0

 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] 0.3103E+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

Enter Miller indices :
 Enter h,k,l : 1,1,1
   h  k  l    |g|    Ucg_r     Ucg_i      |Ug|      phase     |Ugp|     phase     xi_g   xi_gp    ratio    Re-1/q_g-Im
   1  1  1   4.4332  3.704985  0.154745   3.70499  -0.00001   0.15475   0.00000   107.6  2576.9    23.9 0.00929 0.00039
  Another one ? (1/0) : 1

Enter Miller indices :
 Enter h,k,l : 2,0,0
   h  k  l    |g|    Ucg_r     Ucg_i      |Ug|      phase     |Ugp|     phase     xi_g   xi_gp    ratio    Re-1/q_g-Im
   2  0  0   5.1190  7.323402  0.291905   7.32340  -0.00001   0.29191   0.00000    54.5  1366.1    25.1 0.01837 0.00073
  Another one ? (1/0) : 0