Are non-selfconsistend DFT optimizations possible?

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Forum Regular

11:53:15 PM PDT - Sat, Jun 18th 2011
Hi Grigory, As I mentioned in my earlier message I didn't intend noscf for geometry optimizations but I appreciate the value in this Harris functional like approach. I'll consider this and try to implement it as soon as time permits. Best, -Niri