##REFERENCE##
#
# PBE
# HF Energy  -76.3600550759
#
# Excited State   1:      Singlet-B1     7.0944 eV  174.76 nm  f=0.0271  <S**2>=0.000
#       5 ->  6         0.70668
# Excited State   2:      Singlet-A2     8.9854 eV  137.98 nm  f=0.0000  <S**2>=0.000
#       5 ->  7         0.70699
# Excited State   3:      Singlet-A1     9.3872 eV  132.08 nm  f=0.0899  <S**2>=0.000
#       4 ->  6         0.70208
#
# PBE0
# HF Energy  -76.3624232785
#
# Excited State   1:      Singlet-B1     7.7365 eV  160.26 nm  f=0.0285  <S**2>=0.000
#       5 ->  6         0.70657
# Excited State   2:      Singlet-A2     9.6344 eV  128.69 nm  f=0.0000  <S**2>=0.000
#       5 ->  7         0.70484
# Excited State   3:      Singlet-A1    10.0954 eV  122.81 nm  f=0.0955  <S**2>=0.000
#       4 ->  6         0.70276
#############
&GLOBAL
  PROJECT H2O_GAPW
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &PROPERTIES
    &TDDFPT
       ##ADMM_KERNEL_CORRECTION_SYMMETRIC
       NSTATES      3
       MAX_ITER    10
       MAX_KV      10
       CONVERGENCE 1.0e-5
    &END TDDFPT
  &END PROPERTIES

  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
       METHOD GAPW
    &END QS
    &AUXILIARY_DENSITY_MATRIX_METHOD
      METHOD basis_projection
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC NONE 
    &END
    &SCF
      MAX_SCF 40
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE0
      &END XC_FUNCTIONAL
    &END XC
    &POISSON
       PERIODIC NONE
       POISSON_SOLVER WAVELET
    &END
  &END DFT
  &SUBSYS
    &CELL
      ABC  5.0  5.0  5.0
      PERIODIC NONE
    &END CELL
    &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
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
    &KIND H
      BASIS_SET ORB 6-311Gxx
      BASIS_SET AUX_FIT 3-21Gx
      POTENTIAL ALL
    &END KIND
    &KIND O
      BASIS_SET ORB 6-311Gxx
      BASIS_SET AUX_FIT 3-21Gx
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
