&XC &XC_FUNCTIONAL NONE &END XC_FUNCTIONAL &HF &SCREENING EPS_SCHWARZ 1.0E-12 &END &END &vdW_POTENTIAL DISPERSION_FUNCTIONAL PAIR_POTENTIAL &PAIR_POTENTIAL TYPE DFTD3(BJ) D3BJ_SCALING 1.0000 0.4171 0.8777 2.9149 PARAMETER_FILE_NAME dftd3.dat SHORT_RANGE_CORRECTION TRUE SHORT_RANGE_CORRECTION_PARAMETERS 0.03 0.70 1.50 0.75 &END PAIR_POTENTIAL &END vdW_POTENTIAL &gcp_potential GLOBAL_PARAMETERS 0.1290 1.1549 1.1763 1.1526 DELTA_ENERGY H 0.04240 DELTA_ENERGY He 0.02832 DELTA_ENERGY Li 0.17787 DELTA_ENERGY Be 0.17160 DELTA_ENERGY B 0.22424 DELTA_ENERGY C 0.27995 DELTA_ENERGY N 0.35791 DELTA_ENERGY O 0.47901 DELTA_ENERGY F 0.63852 DELTA_ENERGY Ne 0.83235 DELTA_ENERGY Na 1.11411 DELTA_ENERGY Mg 1.27115 DELTA_ENERGY Al 1.44695 DELTA_ENERGY Si 1.61098 DELTA_ENERGY P 1.76661 DELTA_ENERGY S 1.98823 DELTA_ENERGY Cl 2.22845 DELTA_ENERGY Ar 2.48796 DELTA_ENERGY K 0.37425 DELTA_ENERGY Ca 0.46097 DELTA_ENERGY Sc 0.44489 DELTA_ENERGY Ti 0.40499 DELTA_ENERGY V 0.37841 DELTA_ENERGY Cr 0.37344 DELTA_ENERGY Mn 0.36125 DELTA_ENERGY Fe 0.36001 DELTA_ENERGY Co 0.36293 DELTA_ENERGY Ni 0.24380 DELTA_ENERGY Cu 0.40530 DELTA_ENERGY Zn 0.39651 DELTA_ENERGY Ga 0.35002 DELTA_ENERGY Ge 0.34578 DELTA_ENERGY As 0.34953 DELTA_ENERGY Se 0.36731 DELTA_ENERGY Br 0.38201 DELTA_ENERGY Kr 0.39971 &END GCP_POTENTIAL &END XC