Intrepretation of ELF functions etc.

["markus mayer" <mayer;at;nandomail.com>]

Dear Collegue,
 I have calculated the CaSO4 ELF functions.  The plot
 shows that the value of the function peaks at oxygen (0.8),
 with almost zero at Ca and little at S.  The isosurface
 is almost spherical at the oxygen atoms, no aggregation
 of the ELF at the "S-O bond".  I have tested something
 like NaAlH4 in which basically the situation is the same
 (ELF concentrated at H and is spherical).
 I have also plotted the electron density instead of the ELF,
 the situation is consistent with that of ELF.
 For this compounds, is the X-ray diffraction also look like
 that?  How can I intreprete these diagrams?
 thanks in advance
 bjoen
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