EMstar

Program: EMstar

This is a simple utility program that lists the equivalent reflections for a given (hkl) and crystal structure. The user is prompted for the crystal structure file name, the accelerating voltage, and the type of scattering factors to be used. Then the reciprocal lattice point is entered (as integers) and a list of equivalent reflectors is created.

For the SrTiO3.xtal structure file, the program output for the (111) reflection is:

  Enter reciprocal lattice coordinates [I] : 1,1,1
 Number of equivalent planes in star =  8

     Scattering factors : Weickenmeier-Kohl (with absorption)

   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  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000
  -1 -1  1   4.4332  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000
  -1  1 -1   4.4332  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000
   1  1 -1   4.4332  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000
  -1 -1 -1   4.4332  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000
   1 -1 -1   4.4332  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000
   1 -1  1   4.4332  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000
  -1  1  1   4.4332  3.704  0.155   3.704   0.000   0.155   0.000   107.6  2577.2    23.9   0.009   0.000