[Pw_forum] (Slightly) different energies based on ordering of atomic positions

Paolo Giannozzi giannozz at democritos.it
Mon Apr 19 16:28:46 CEST 2010

Mike Mehl wrote:

> Ah.  A glitch in the computer architecture, then. 

maybe, or maybe not: hard to say. Sometimes highly optimized
mathematical libraries are also a source of loss of accuracy.

Paolo Giannozzi, Democritos and University of Udine, Italy

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