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Finally, modifying X in ``setup.m'' to [0 0 0; x 0 0] for x=0.50,
1.00, 1.25, 1.50, 1.75, 2.00, 4.00, and 6.00 bohr, and running
``setup.m'', ``ewald.m'' and ``Hatoms.m'' (be sure to use gbl_f=2!)
each time, compute the total energy of the 
molecule at the above
separations.
Debugging: At a separation of 1.5 bohr, you should find a total energy of -1.136 hartree.
From this data, you should be able to extract the LDA predictions for
the bond length, energy and effective spring constant for H
. See
the files ``/home/Faculty/muchomas/Minicourse/H2*'' for a plot and summary of
an analysis of the results with a comparison to data from the CRC
handbook!