&GLOBAL PRINT_LEVEL LOW RUN_TYPE WFN_OPT &END GLOBAL &FORCE_EVAL METHOD Quickstep &DFT LSD MULTIP 3 &MGRID CUTOFF 300 &END MGRID &QS &END QS &SCF EPS_SCF 1.0E-5 SCF_GUESS ATOMIC &MIXING ALPHA 0.4 METHOD DIRECT_P_MIXING &END MIXING &END SCF &XC &XC_FUNCTIONAL Pade &END XC_FUNCTIONAL &END XC &END DFT &SUBSYS &CELL ABC 10.0 10.0 10.0 &END CELL &COORD O 0.000000 0.000000 0.608000 O 0.000000 0.000000 -0.608000 &END COORD &KIND O BASIS_SET DZVP-GTH-PADE POTENTIAL GTH-PADE-q6 &END KIND &END SUBSYS &END FORCE_EVAL