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Linear-Scaling Density Functional Theory with Tens of Thousands of ...
www.tcm.phy.cam.ac.uk/~ndmh3/TEFM.pdf15 Oct 2012: As a verysimple example, even the formation energy of the comparatively sim-ple neutral vacancy in Germanium V 0Ge tests the robustness of DFT to-tal energy methods, since the defect
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