Geometry Optimization of ADP

Yingchun Zhang zhangyin... at
Mon May 21 04:23:33 UTC 2018

EPS_DEFAULT 1.0E-7 is too large, change it to smaller value, for example, 
also change EPS_SCF 1.0E-05  to smaller value like e-6
CUTOFF 200 is too small, take a look 
at       larger cutoff is 
usually needed for larger basis set 
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