search for: r_primer

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2007 Mar 10
2
Table Construction from calculations
Hi- I am trying to create a table of values by adding pairs of vectors, but am running into some problems. The problem is best expressed by a simple example. Starting with a data table "basis": atom x y z 1 Cu 0.0 0.0 0.0 2 Cu 0.5 0.5 0.5 I want to add 0.5 0.5 0.5 (and also the 0 0 0 but it wouldn't change the values below so I won't refer to it in the rest