why MAX SCF=1 when tests the cutoff and rel cutoff for the convergence in the tutorial?

Jingyun Ye jingyu... at gmail.com
Thu Mar 13 20:14:00 UTC 2014


Hi, all

Do you know  why MAX SCF=1 when tests the cutoff and rel cutoff for the 
convergence in the tutorial?  Is this reasonable? If MAX SCF=1, the wave 
functionals is not optimized. Is this strange?   

Thanks.
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