Dplot display of HOMO and LUMO

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8:43:56 AM PDT - Mon, Oct 28th 2013
Quote:Bk.ong Oct 25th 5:12 pm Thanks! I have another problem with the ecce_print. When I open the ecce output, it shows the unoptimized structure, instead of the optimized one. Do you know what happened? It's hard to tell without having seen the full NWChem output