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19991016: identical to 19990825, safe that oxygen is NOT polarizable

GOAL

Identical to 19990825, but with rigid oxygen: to see the effect of neglecting the shell model for oxygen.

Also: if we find that neglecting the shell model makes no big difference, then we can hope to be able to simulate a bigger system and so we can hope to solve the reproducibility problem we had in 19990831/19990902/19990909 (assuming that the problem is due to an insufficient statistics...)

Results

\begin{center}\vbox{\input{19991016-01.pslatex} }\end{center}