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ECP Pattern Simulations
Once you have a complete ECP master pattern simulation, the next step is to set up your detector parameters and grain orientations to compute actual patterns. For this help page, we will assume that you already know the relevant parameters, and you simply want to compute the patterns.
The relevant program is called EMECP, and you generate the name list file template by typing:
EMECP -t
This generates a namelist template file which you need to rename to something like EMECP.nml. The content of this file is as follows:
&ECPlist
! The line above must not be changed
!
! The values below are the default values for this program
!
! crystal structure filename
xtalname = 'undefined',
! size of output pattern in pixels (image is always square npix x npix)
npix = 256,
! half angle of cone for incident beams (degrees)
thetac = 5.0,
! mask pattern or not; 'y' or 'n'
maskpattern = 'n',
! monte carlo input file; path relative to EMdatapathname
energyfile = 'undefined',
! master pattern input file; path relative to EMdatapathname
masterfile = 'undefined',
! input file for list of angles
anglefile = 'undefined',
! euler angle convention in input angle file; 'hkl' or 'tsl'
eulerconvention = 'hkl',
! gamma scaling value
gammavalue = 1.0,
! output format; 'gui' for IDL and 'bin' for dictionary
outputformat = 'gui',
! output file ; path relative to EMdatapathname
datafile = 'undefined',
! number of threads for parallel execution
nthreads = 1,
! tilt of the sample; only one angle incorporated for now
sampletilt = 0.D0,
! detector geometry parameters
! working distance [in mm]
workingdistance = 13.0,
! inner radius of annular detector [in mm]
Rin = 2.0,
! outer radius of annular detector [in mm]
Rout = 6.0,
!
!==============================================================
! the nml parameters below are only used in case of two layered structure;
! ignore them all for normal ECP calculation
!==============================================================
! foil normal of film
fn_f = 0,0,1,
! foil normal of substrate
fn_s = 0,0,1,
! second (substrate) crystal structure filename
xtalname2 = 'undefined',
! plane normal in Film
gF = 0,0,0,
! plane normal in Substrate
gS = 0,0,0,
! direction in Film
tF = 0,0,0,
! direction in Substrate
tS = 0,0,0,
! smallest d-spacing to take into account [nm]
dmin = 0.025,
! film thickness if present (0.0 if not present)
filmthickness = 0.0,
! output file for film signal
filmfile = 'undefined',
! output file for substrate signal
subsfile = 'undefined'
/
For most of the parameters above, the one-liner explaining things should be sufficient. This program is scheduled to be updated with additional options in the next version of EMsoft. The outputformat parameter should always be set to bin to generate an HDF5 output file.
Example ECPs for Ni using some random orientations are shown below:
Wiki pages are maintained by M. De Graef; they are part of the EMsoft package and fall under the same copyright (BSD2).
Information for Users
SEM Modalities
- Monte Carlo Simulations- EBSD Master Pattern Simulations
- EBSD Overlap Master Patterns
- EBSD Pattern Simulations
- EBSD Dictionary Indexing
- EBSD Spherical Indexing
- EBSD Reflector Ranking
- EBSD HREBSD
- ECP Master Pattern Simulations
- ECP Pattern Simulations
- TKD Master Pattern Simulations
- TKD Pattern Simulations
- ECCI Defect Image Simulations
TEM Modalities
- HH4- PED
- CBED Pattern Simulations
- STEM-DCI Image Simulations
- EMIntegrateSTEM utility
Utility Programs
- EMConvertOrientations- EMDisorientations
- EMHOLZ
- EMKikuchiMap
- EMOpenCLinfo
- EMZAgeom
- EMcuboMK
- EMdpextract
- EMdpmerge
- EMdrawcell
- EMeqvPS
- EMeqvrot
- EMfamily
- EMGBO
- EMGBOdm
- EMgetEulers
- EMgetOSM
- EMlatgeom
- EMlistSG
- EMlistTC
- EMmkxtal
- EMorbit
- EMorient
- EMqg
- EMsampleRFZ
- EMshowxtal
- EMsoftSlackTest
- EMsoftinit
- EMstar
- EMstereo
- EMxtalExtract
- EMxtalinfo
- EMzap
Complete Examples
- Crystal Data Entry Example
- EBSD Example
- ECP Example
- TKD Example
- ECCI Example
- CBED Example
- Dictionary Indexing Example
- DItutorial
Information for Developers