&GLOBAL
  PRINT_LEVEL LOW
  PROJECT CH_grad_admm
  RUN_TYPE GEO_OPT
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 1
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    BASIS_SET_FILE_NAME BASIS_ADMM
    MULTIPLICITY 2
    POTENTIAL_FILE_NAME POTENTIAL
    UKS
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC PBEX
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 100
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC XYZ
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-10
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-2
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        FRACTION 1.0000000
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 1.5
          POTENTIAL_TYPE TRUNCATED
          T_C_G_DATA t_c_g.dat
        &END INTERACTION_POTENTIAL
        &SCREENING
          EPS_SCHWARZ 1.0E-10
          EPS_SCHWARZ_FORCES 1.0E-6
          SCREEN_ON_INITIAL_P .FALSE.
        &END SCREENING
      &END HF
      &WF_CORRELATION
        MEMORY 1.00
        NUMBER_PROC 1
        &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 CPHF
        &END CANONICAL_GRADIENTS
        &INTEGRALS
          &WFC_GPW
            CUTOFF 25
            EPS_FILTER 1.0E-6
            EPS_GRID 1.0E-6
            REL_CUTOFF 10
          &END WFC_GPW
        &END INTEGRALS
        &RI_MP2
          BLOCK_SIZE -1
        &END RI_MP2
      &END WF_CORRELATION
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      ABC [angstrom] 5.0 5.0 5.0
      PERIODIC XYZ
    &END CELL
    &COORD
      C     0.000     0.000     0.300
      H     0.000     1.173     0.000
    &END COORD
    &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
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
