                              ICISS EXAMPLE
                              =============
This example illustrates the application of Snook to the Impact
Collision Ion Scattering Spectrometry (ICISS) experiment.The example is
discussed in Chapter 6 of the Simulation Primer (simprimr.doc) which you
can find in the \sk22\docs directory. 

The scattering system is 1.5 keV He -> Cu(110), using a <112> incident
azimuth, and a target of 26 coplanar atoms.

The example runs a series of similar simulations with different incident
altitudinal angles in the range 9-73 degrees (at various intervals).

Before you can run this project, you need to generate its Impact file
(which will be about 200 k in size).

PROCEDURE TO GENERATE IMPACT FILE
(1) Run Spider.
(2) Click the 'Open' option on the 'Impact' menu.
(3) Select the file named 'cu110.imp' which is found in this directory.
(4) Click the Ok button in the dialog box which comes up: this will
    generate the file.

PROCEDURE TO RUN EXAMPLE
------------------------

(1) Start Snook.
(2) Click the 'Run batch' option on the 'File' menu.
(3) Select the file named 'cu110.bdf' (batch definition file) which is
found in this directory.
(4) The example will run if you confirm 'Yes' in the dialog box.
(5) Repeat the same procedure with 'cu110b.bdf' if you want to fill in
some of the points around the prominent peaks.

Notes:

If you want to do a serious calculation, you should select the
'Simulation' option on the 'Options' menu, and modify the following
options from their default values:

(1) Uncheck (turn off) the 'Verbose' and 'Report Energy' options.
(2) You should also check (turn on) the 'Assume Elemental
Target' option.
(3) Check the No y-vibration option.
(4) Check the 'Ignore Inter-Target forces' option.

You can read up on the meaning of these options by clicking Help.

The example takes half a day or so to run on a 200 MHz
Pentium running Windows 95, but you can abort it any time you choose.
Minimise the program window when you don't need to look at it (to
speed up the calculations).

The file paths given in the batch definition file cu110.bdf assume a
default installation of the simulation kit (\sk22\...). You will need to do
a global replace on the file path specifications in this file if you
have installed the SK in some other manner.

Have a look at the scat-cnt.pas file in \sk22\examples\winnow for a program
which calculates output automatically for comparison with ICISS data
from your SNK files (without requiring the use of Winnow).

