-----------------------------
                XASW3 Scattered Wave Programs
                -----------------------------

The directory XASW3 contains a set of programs used to perform
X-alpha scattered wave solution to the electronic Hamiltonian
describing a molecule.  Installation of the programs requires
a fortran 77 compiler.

File Structure:
---------------

        |- cucl4/                         ' Copper Chloride
        |- dat/                           ' Data files
        |- bin/                           ' Executable files
        |- util/ ---- test/ - src/ - doc/ ' Utility programs
xasw3  -|
        |- xatom/ --- test/ - src/ - doc/ ' Atomic program
        |- xainpot/ - test/ - src/ - doc/ ' Potential program
        |- xasym/ --- test/ - src/ - doc/ ' Symmetry program
        |- xasw/ ---- test/ - src/ - doc/ ' Scattered wave program

Installation:
-------------

[1] Set the environment variable XFLAGS to pass the correct fortran
    compiler flags in the file Master.make .
    On SGI workstations:       setenv XFLAGS "-static -mips2 -O"
    On SUN workstations:       setenv XFLAGS -O

[2] Type "Master.make" and press return to install the programs in 
    xasw3/bin.

[3] Type "Master.test" and press return to test the installed programs.

[4] When the installation is successful type "Master.clean" to remove
    object files from the directory.

Installation can be done separately by moving to the  directories
utill/src, xatom/src, xainpot/src, xasym/src, and xasw/src.  In each
source code directory execute "make", "make test", and "make clean"

Running the Programs:
---------------------

The directory CuCl4  has a set of data decks for running a sample
calculation on Cupric tetra Chloride.  Explanation on how to run these
sample decks can be found in the documentation file xasw/doc.  Other
sample decks can be found in the /test directories and documentation
in the /doc directories.