&GLOBAL                                                                                           
  PROJECT     GRAD_H2O_gpw_admm_none
  PRINT_LEVEL LOW
  RUN_TYPE    ENERGY_FORCE
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME  HFX_BASIS
    BASIS_SET_FILE_NAME  BASIS_ADMM
    POTENTIAL_FILE_NAME  POTENTIAL
    UKS
    MULTIPLICITY 2
    &AUXILIARY_DENSITY_MATRIX_METHOD
      METHOD BASIS_PROJECTION
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC DEFAULT
    &END
    &MGRID
      CUTOFF      50
      REL_CUTOFF  30
    &END MGRID
    &QS
      METHOD GPW
      EPS_DEFAULT 1.0E-10
    &END QS
    &POISSON
      POISSON_SOLVER WAVELET
      PERIODIC XYZ
    &END POISSON
    &SCF
      SCF_GUESS   ATOMIC
      # We use this coarse EPS_SCF to cut down the computation time for the regtest
      EPS_SCF     1.0E-2
      MAX_SCF     100
    &END SCF
    &XC
      2ND_DERIV_ANALYTICAL .FALSE.
      NSTEPS 3
      STEP_SIZE 1E-4
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        FRACTION 1.0000000
        &SCREENING
          SCREEN_ON_INITIAL_P .FALSE.
          EPS_SCHWARZ         1.0E-9
          EPS_SCHWARZ_FORCES  1.0E-6
        &END SCREENING
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE TRUNCATED
          CUTOFF_RADIUS 1.5
          T_C_G_DATA t_c_g.dat
        &END
      &END HF
      &WF_CORRELATION
        &RI_MP2
          BLOCK_SIZE  -1
        &END
        &CANONICAL_GRADIENTS
          EPS_CANONICAL 0.0001
          FREE_HFX_BUFFER .FALSE.
          &CPHF
            EPS_CONV  1.0E-4
            # Under these conditions, the iteration does not converge at all
            MAX_ITER  1
          &END
        &END
        &INTEGRALS
          &WFC_GPW
            CUTOFF      25
            REL_CUTOFF  10
            EPS_FILTER  1.0E-12
            EPS_GRID    1.0E-8
          &END WFC_GPW
        &END INTEGRALS
        MEMORY       1.00
        NUMBER_PROC  1
      &END
    &END XC
  &END DFT
  &PRINT
   &STRESS_TENSOR
   &END
  &END
  &SUBSYS
    &CELL
      ABC [angstrom]  5.0 5.0 5.0
      PERIODIC XYZ
    &END CELL
    &KIND H
      BASIS_SET         DZVP-GTH
      BASIS_SET RI_AUX  RI_DZVP-GTH
      BASIS_SET AUX_FIT cFIT3
      POTENTIAL         GTH-HF-q1
    &END KIND
    &KIND C
      BASIS_SET         DZVP-GTH
      BASIS_SET RI_AUX  RI_DZVP-GTH
      BASIS_SET AUX_FIT cFIT3
      POTENTIAL         GTH-HF-q4
    &END KIND
    &COORD
  C     0.000     0.000     0.300
  H     0.000     1.173     0.000
    &END
    &TOPOLOGY
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
