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  • (cur | prev) 16:41, 9 December 2016Sfux (talk | contribs). . (1,764 bytes) (+1,764). . (Created page with "As an example for running a Dalton job, we are running a DFT (B3LYP) calculation for a water molecule. [leonhard@euler07 ~]$ '''ls''' water.dal water.mol [leonhard@euler0...")