Multicore convergence problem

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6:07:37 AM PST - Sun, Jan 1st 2017
Well, it still doesn't converge, but seems to take a different path now: 6 cores direct I have also tried with 'grid xfine' (and 'direct') keyword and it still doesn't converge though this time it reaches the correct ground state as is evident from the DFT energy: 6 cores direct xfine