Structure 4 Double Cell

12/30/10:
Files prepared and density convergence / ETotal calculation put into the queue on 54 nodes with 8 ppn and a walltime of 10 hours.

1/5/11:
Failed because of memory needs. See Structure 3 for more details.

1/11/11:
For update, see Structure 3.

1/23/11:
For update, see Structure 3.

2/8/11:
For update, see Structure 3.

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