TKD Master Pattern Simulations - EMsoft-org/EMsoft GitHub Wiki

TKD Master Pattern Simulations

To generate the input name list files for the EMTKDmaster program, simply type

EMTKDmaster -t

The BetheParameters.template file is explained in the help page for the EBSD master program; the other input file, EMTKDmaster.template, has the following content:

&TKDmastervars
! smallest d-spacing to take into account [nm]
 dmin = 0.05,
! number of pixels along x-direction of the square master pattern  (2*npx+1 = total number)
 npx = 500,
! name of the energy statistics file produced by EMMCfoil program; relative to EMdatapathname
! this file will also contain the output data of the master program
 energyfile = 'MCoutput.h5',
! number of OpenMP threads
 nthreads = 2,
! restart computation ?
 restart = .FALSE.,
! create output file with uniform master patterns set to 1.0 (used to study background only)
 uniform = .FALSE.,
 /```
As for the other SEM modalities, the *energyfile* parameter is the filename generated by the Monte Carlo program, and the master pattern data sets will be written to this same file.  The other parameters are identical to those used for EBSD and ECP master pattern runs.

The program can be executed as follows:
```fortran
EMTKDmaster filename.nml

Note that the template files must be renamed with extension .nml in order for the program to be able to detect the input file. A typical master pattern run can take a considerable amount of time, especially for large low symmetry unit cells.