Geometry Optimization of ADP

[Yingchun Zhang]

EPS_DEFAULT 1.0E-7 is too large, change it to smaller value, for example, 
1e-12
also change EPS_SCF 1.0E-05  to smaller value like e-6
CUTOFF 200 is too small, take a look 
at https://www.cp2k.org/howto:converging_cutoff       larger cutoff is 
usually needed for larger basis set 
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