Readme.txt

Many-beam Bloch wave calculation using "mbfit" package.
K. Tsuda, IMRAM, Tohoku University, Japan
21 Jun. 2004


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[A minimum procedure for CBED simulations]

* a sample data file: ??.txt
* The use of "command prompt" is required

Step1: (Many-beam dynamical simulation)
mbfit ??.txt
(output ==> ??_mbutl.txt)

Step2: (Generation of png-image files and a html-file)
mbutl ??_mbutl.txt
(output ==> ??.html)

Step3: (Display using Internet Explorer)
??.html

Please try to run s1.txt, s2.txt, s3.txt and s4.txt.


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[Next steps]
Please try to change the following parameters of the input files:

* thickness
* incident zone-axis
* tilting of incidence
* calculation area: LACBED
* resolution of patterns
* beam_search: ZOLZ, HOLZ
* lattice parameters
* accelerating voltage
* atom positions
* crystal structures


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[Advanced course]

* Dispersion surface
ds1.txt   : Dispersion surface

* Bloch states
bl1.txt   : Bloch state

* Refinement of crystal structural parameters and low-order Fg
==> Please contact the author!


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[Contents of the folder]

***** mbfit executive files 
mbfit.exe: Many-beam dynamical calculation program
mbutl.exe: Visualization utility program for mbfit

***** mbfit data files
mbfit.ini
mbfitbk.dat
mbfitspg.dat
mbfitxdt.dat

***** mbfit sample input files 
s1.txt    : CBED pattern simulation
s2.txt
s3.txt
s4.txt
bl1.txt   : Bloch state
ds1.txt   : Dispersion surface


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Other utility programs (free wares):
(These files are required for the execution of mbutl.exe)

***** netpbm package
http://netpbm.sourceforge.net/
pnmtopng.exe
libpng.dll
netpbm.dll
zlib.dll

***** wgnuplot package
(http://sourceforge.net/projects/gnuplot/files)
pgnuplot.exe
wgnuplot.exe
wgnuplot.hlp
wgnuplot.mnu
wgnuplot_pipes.exe
