&GLOBAL PROJECT ch2o_pbe_rks_s_tddfpt RUN_TYPE energy PRINT_LEVEL low &END GLOBAL &FORCE_EVAL METHOD Quickstep &PROPERTIES &TDDFPT NSTATES 5 MAX_ITER 10 CONVERGENCE [eV] 1.0e-3 &END TDDFPT &END PROPERTIES &DFT BASIS_SET_FILE_NAME GTH_BASIS_SETS POTENTIAL_FILE_NAME POTENTIAL &MGRID CUTOFF 400 &END MGRID &QS METHOD gpw &END QS &SCF MAX_SCF 30 EPS_SCF 1e-7 SCF_GUESS atomic &END SCF &POISSON PERIODIC none POISSON_SOLVER wavelet &END POISSON &XC &XC_FUNCTIONAL pbe &END XC_FUNCTIONAL &XC_GRID XC_DERIV SPLINE2_SMOOTH &END XC_GRID &END XC &END DFT &SUBSYS &TOPOLOGY &CENTER_COORDINATES &END CENTER_COORDINATES &END TOPOLOGY &CELL ABC 9.0 9.0 9.0 PERIODIC NONE &END CELL &COORD O 0.094933 -0.000368 0.895642 C -0.031077 -0.000121 -0.307326 H -0.090437 0.947608 -0.895642 H -0.094933 -0.947608 -0.895562 &END COORD &KIND O BASIS_SET aug-TZV2P-GTH POTENTIAL GTH-PBE-q6 &END KIND &KIND C BASIS_SET aug-TZV2P-GTH POTENTIAL GTH-PBE-q4 &END KIND &KIND H BASIS_SET aug-TZV2P-GTH POTENTIAL GTH-PBE-q1 &END KIND &END SUBSYS &END FORCE_EVAL