cgmin and occup


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Forum Regular
10:21:34 AM PST - Fri, Nov 8th 2013
Hi Andreas,

We haven't hooked up the cgmin algorithm with the occup capability. Occup is only available via the traditional diagonalization route at the moment. Have you tried this ?

Let me know if there are any issues,

Best,
-Niri

niri.govind@pnl.gov