Standard quadrature grid

As mentioned above, a KS-LCAO calculation adds one additional step to each iteration of a standard HF-LCAO calculation a quadrature to calculate the exchange and correlation functionals. The accuracy of such calculations therefore depends on the number of grid points used, and this has a memory resource implication. The Kohn-Sham equations are very similar to the HF-LCAO ones and most cases converge readily. 

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