&DFT BASIS_SET_FILE_NAME BASIS_MOLOPT POTENTIAL_FILE_NAME GTH_POTENTIALS &MGRID COMMENSURATE CUTOFF 150 &END MGRID &QS EPS_DEFAULT 1.0E-12 &END QS &SCF EPS_SCF 1.0E-06 MAX_SCF 26 SCF_GUESS RESTART &OT MINIMIZER CG PRECONDITIONER FULL_SINGLE_INVERSE ENERGY_GAP 0.001 &END OT &OUTER_SCF EPS_SCF 1.0E-05 &END OUTER_SCF &END SCF &XC &XC_FUNCTIONAL PBE &END XC_FUNCTIONAL &END XC &PRINT &MO_CUBES NLUMO 10 WRITE_CUBE T &END MO_CUBES &V_HARTREE_CUBE STRIDE 2 2 2 &END &END PRINT &END DFT