keyword
c[100]_2_1.5_[100]_400.txt
msym	     rotation    radian
3            3           1
1.5
1.0  0.0  0.0
2.0
10.0
400.0
1.0  0.0  0.0
10.0


The rotation variable is unused, but should be set to 3 when
the gbcd is calculated from these data.
line 4 is amplitude for the misorientation enhancement
line 5 is the rotation axis for the enhanced misorientation (unit vector)
line 6 is the misorientation angle (degrees)
line 7 is the width of the misorientation spread (degrees)
line 8 is the amplitude of the plane enhancement
line 9 is the normal of the plane that is enhanced.  This should be a unit vector
line 10 is the width of the plane orientation spread (degrees)

The second line is the name of the output file.

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).

0.8404  0.0  0.5421