keyword
triangles.txt
msym         rotation    radian
3            1           1


The second line is the name of the input file.  This file should be
in this directory and it should be a list of grain boundary traces
produced by TSL software.

For a typical cubic situation, at least 50,000 segments are needed
for a reliable answer.  For lower symmetries, more segments are
needed (see Rohrer et al. Z. Metallkd. 95 (2004) 197.)

If the sample has significant texture in the MDF (in other words,
if some types of misorientations occur more frequently than 
others) then the 50,000 mark can not be used as a guideline.  The
results will be accurate at the misorientations that are highly
populated, but inaccurate at those that are not.

If the sample has orientation texture, the result will be
biased and incorrect. 

If Cubic, msym = 3
If Hexagonal, msym = 2
If Tetragonal, msym = 1
If Trigonal, msym = 4

If HKL default reference frame, rotation = 0
If TSL default reference frame, rotation = 1

Note: If rotation is set to 0, and msymm = 2, then 30 degree is subtracted from the third Euler angle (phi_2).  This aligns the [2-1-10] direction in the hexagonal system with the x-axis

It is assumed that HKL data arrives in CS1 data acquisition frame (even though the CTF will say CS0).Ê If a user is uncertain about their data, they should leave it in the unrotated, CS1 frame before exporting to CTF.

If Euler angles in degrees, use radian=0
If Euler angles in radians, use radian=1

The grain boundary character distribution is written to the files gbcd.txt.
The file has 9x9x9x9x36 = 236196 lines.  Each line is a value in MRD units.
The first value corresponds to the GBCD at phi_1 = 0, cap_phi= 0, phi_2 = 0, theta = 0, Phi = 0.  Phi is then incremented, followed by theta, etc... phi_1, phi_2, and Phi are incremented in 10 degree intervals between zero and 90.  cap_phi and theta are discretized into nine equal intervals of cos(theta).