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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