&GLOBAL
  PRINT_LEVEL LOW
  PROJECT ftest
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    BASIS_SET_FILE_NAME BASIS_ADMM
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC PBEX
      EXCH_SCALING_MODEL NONE
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &EXCITED_STATES T
      STATE 1
    &END EXCITED_STATES
    &MGRID
      CUTOFF 200
      REL_CUTOFF 40
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &QS
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 50
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 10
      &END OUTER_SCF
    &END SCF
    &XC
      &HF
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.5
          OMEGA 0.33
          POTENTIAL_TYPE MIX_CL_TRUNC
          SCALE_COULOMB 0.18352
          SCALE_LONGRANGE 0.94979
          T_C_G_DATA t_c_g.dat
        &END INTERACTION_POTENTIAL
        &MEMORY
          MAX_MEMORY 100
        &END MEMORY
        &SCREENING
          EPS_SCHWARZ 1.0E-7
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL
        &BECKE88
          SCALE_X 0.95238
        &END BECKE88
        &BECKE88_LR
          OMEGA 0.33
          SCALE_X -0.94979
        &END BECKE88_LR
        &LYP
          SCALE_C 1.0
        &END LYP
        &XALPHA
          SCALE_X -0.13590
        &END XALPHA
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
  &END PRINT
  &PROPERTIES
    &TDDFPT
      ADMM_KERNEL_CORRECTION_SYMMETRIC
      CONVERGENCE [eV] 1.0e-7
      KERNEL FULL
      MAX_ITER 50
      NSTATES 5
      RKS_TRIPLETS F
    &END TDDFPT
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC [angstrom] 4.0 4.0 4.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000    0.000000
      H   0.000000   -0.757136    0.580545
      H   0.000000    0.757136    0.580545
    &END COORD
    &KIND H
      BASIS_SET DZV-GTH-PADE
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PADE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
