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A generalized divide-conquer (GDC) method, in which a cluster is taken
into account as the core region instead of a single atom in the DC method,
is available by the following option:
scf.EigenvalueSolver GDC
The core region is automatically determined so that the computational
efficiency can be maximized and this scheme can be more efficient than
the conventional DC method for low dimensional systems, while the details
are not shown here. The total number of truncated clusters is reduced
as a result of the clustered core region which is is the reason for
the efficiency. As well as the DC method, the accuracy and efficiency
are controlled by the following keywords:
'orderN.HoppingRanges' and
'orderN.NumHoppings'.
2009-08-28