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ni_mp.out
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ni_mp.out
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Copyright (C) 2001-2019 Marc De Graef Research Group/CMU
EMsoft comes with ABSOLUTELY NO WARRANTY.
This is free software, and you are welcome to redistribute it
under certain conditions; see License.txt file for details.
Program name : EMEBSDmaster.f90
Purpose : EBSD Energy-dependent Master Pattern Simulation
Platform : Linux
Source code version : 5_0_20201029_
Source code Revision :
Build Date/Time : 2020-10-29 13:10:02Z
See https://github.com/EMsoft-org/EMsoft/wiki for selected help pages.
Oct 30 2020 1:28:56.880 AM
Number of command line arguments detected: 1
--> total number of BSE electrons in MC data set 2000000000
-->Crystal Structure Information<--
a [nm] : 0.35236
b [nm] : 0.35236
c [nm] : 0.35236
alpha [deg] : 90.00000
beta [deg] : 90.00000
gamma [deg] : 90.00000
Volume [nm^3] : 0.04374816
Space group # : 225
Space group symbol : F m 3 m
Generator String :16aODDaDODbOOOcOOOdOOOeOOO0
Structure is centrosymmetric
# generators : 8
# symmetry matrices: 192
# point sym. matr. : 48
Number of asymmetric atom positions 1
General position / atomic number / multiplicity : 1/28/ 4 (Ni)
Equivalent positions (x y z occ DWF)
> 0.00000, 0.00000, 0.00000, 1.00000, 0.00350
> 0.00000, 0.50000, 0.50000, 1.00000, 0.00350
> 0.50000, 0.00000, 0.50000, 1.00000, 0.00350
> 0.50000, 0.50000, 0.00000, 1.00000, 0.00350
Mean inner potential [V] 0.2962E+02
Wavelength corrected for refraction
Relativistic correction factor [gamma] 0.1039E+01
Relativistic Accelerating Potential [V] 0.2052E+05
Electron Wavelength [nm] 0.8561E-02
Interaction constant [V nm]^(-1) 0.1858E-01
Range of reflections along a*, b* and c* = 8 8 8
Normal absorption length [nm] = 59.5765381
Generating Fourier coefficient lookup table ...Done
Range of reflections along a*, b* and c* = 8 8 8
Generating Sgh coefficient lookup table ...Done
Starting computation for energy bin (in reverse order) 1 of 1; energy [keV] = 20.00
# independent beam directions to be considered = 20302
Attempting to set number of threads to 24
completed beam direction 5000 of 20302
completed beam direction 10000 of 20302
completed beam direction 15000 of 20302
completed beam direction 20000 of 20302
-> Average number of strong reflections = 18
-> Average number of weak reflections = 9
Execution time [s]: 3
Final data stored in file crystal_data/ni/ni_mc_mp_20kv2.h5
Total execution time [s] 3