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- ...ures simulated on Curie in Dec 2011 (122 atoms, 434 electrons). The energy difference between these two structures was computed with QMC=Chem.2 KB (248 words) - 15:34, 19 September 2017
- containing all the needed input data. The only difference between the input for each task (Figure 5), this difference reflects the fact that29 KB (4,595 words) - 10:46, 18 April 2011