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Folder content:

 - Supp_mat       supplementary materials of published papers.

 - WORKEXA.tar.gz full set of examples contained in the manual 
                  and in the reference paper of the SYSMOIC package. 
                  Click to download.

To get the SYSMOIC examples:
open a terminal and change directory to the place where the 
WORKEXA.tar.gz has been downloaded and issue the command:

> tar -zxf WORKEXA.tar.gz 

a folder named WORKEXA will be generated containing the exmpale tree.

Change directory

> cd WORKEXA

The following should be present:

 > anthracene....... examples relative to anthracene molecule
 > benzene ......... examples relative to benzene molecule
 > borazine ........ examples relative to borazine molecule
 > COT ............. examples relative to planarized cyclooctatetraene
 > fullerene-70 .... examples relative to C70 molecule
 > naphthalene ..... examples relative to naphthalene molecule
 > phenanthrene .... examples relative to phenanthrene molecule
 > pyracylene ...... examples relative to pyracylene molecule
 > README.txt ...... this file

There is one subdirectory for each molecule. Within each subdirectory, 
further subdivisions might be present for different functionals/basis sets.

A RUN_TESTS script in each subdirectory is ready to be used to run all the 
examples for a specific molecule/functional/basis_set.

Having a look inside RUN_TESTS scripts is highly recommended, to gain further 
information about command line parameters and to see how to redirect 
input/output from/to a file.
  
File names are in lower case, reserving one initial capital letter to 
distinguish among input files (initial capital letter I), output files (initial 
capital letter O) and graphic files (initial capital letter G). 
Both input and output files have ".txt" extension, whilst 
".3d" or ".v3d" are reserved for graphic file extension.

Output and graphic files produced in the author's lab are collected in a folder
named REFERENCES, which can be compared with those produced by the scipt to test 
the program installation.

Making experiments changing parameter values and modifying input files is 
highly recommended. Always refer to the on-line manual for preparing a
calculation. 

Always, doubly check the orientation of the molecule within the Cartesian 
reference system provided by the Gaussian pogram which performs the CSGT 
calculation. 

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