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Clearly a better solution to the problem of the projector-overlaps in
the Ion module would be to distribute the
-projectors as well
as the
-projectors. However the
-projectors are used
extensively throughout the Ion module, including computing overlaps
between wavefunctions and the projectors which can be done without
communication in the current code. Distributing the
-projectors
would thus require extensive modifications and an extra communication
overhead, whereas the changes described above were localised to the
problematic subroutine.
Sarfraz A Nadeem
2008-09-01