&GLOBAL
  PROJECT H2Oplus_tddfpt_stda-pbe-lsd
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &PROPERTIES
    &TDDFPT
       KERNEL sTDA
       &sTDA
          FRACTION 0.2
       &END sTDA
       NSTATES      3
       MAX_ITER    50
       CONVERGENCE [eV] 1.0e-5
    &END TDDFPT
  &END PROPERTIES
  &DFT
    LSD
    MULTIPLICITY 2
    CHARGE 1
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
    &END QS
    &POISSON
     POISSON_SOLVER WAVELET
     PERIODIC NONE
    &END POISSON
    &SCF
      MAX_SCF 15
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
      PERIODIC NONE
    &END CELL
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END TOPOLOGY
    &COORD
    O   0.000000    0.000000   -0.065587 H2O
    H   0.000000   -0.757136    0.520545 H2O
    H   0.000000    0.757136    0.520545 H2O
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
