I would expect the __APPLE__ define to come in automatically from your compiler and/or system headers. The NaNs are "interesting" - could this be another case of uninitialized array elements, just like the lapw0 bug you found last month ? Heap vs stack would then just change the likelyhood of obtaining (non-)zeroed memory on allocation... -- Dr. Martin Kroeker mar...@ruby.chemie.uni-freiburg.de c/o Prof.Dr. Caroline Roehr Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg
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