EMlatgeom - EMsoft-org/EMsoft GitHub Wiki

Program: EMlatgeom

This is a simple utility program to compute lengths of direct and reciprocal space vectors, angles between directions or plane normals, and cross products in direct or real space. The program is rather self-explanatory; we will do this for SrTiO3.xtal as an example:

  Enter xtal file name : SrTiO3.xtal
ReadDataHDF: There is no Source data set in this structure file
 Select from the following options:

 [1] length of direct space vector
 [2] length of reciprocal space vector
 [3] angle between direct space vectors
 [4] angle between reciprocal space vectors
 [5] cross product, direct space vectors
 [6] cross product, reciprocal space vectors

     Enter selection: 

Let's take selection 3:

     Enter first vector components : 1,1,1
     Enter second vector components : 1,0,0
 -> Angle [deg] =   54.7356
  Another computation? (1/0) : 

Next, let's do the cross product between [110] and [201]:

     Enter selection: 5
     Enter first vector components : 1,1,0
     Enter second vector components : 2,0,1
 -> p x q = (  1  -1  -2)

Note that this is a plane normal (i.e., a direction in recprocal space).