!
!  Open-shell grid-based optimization of the embedding potential
!  with restart from potetnials in cube format
!
&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT h_h_given_embed
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_RI_cc-TZ
    MULTIPLICITY 2
    POTENTIAL_FILE_NAME HF_POTENTIALS
    UKS .TRUE.
    &MGRID
      CUTOFF 100
      REL_CUTOFF 20
    &END MGRID
    &POISSON
    &END POISSON
    &QS
      DFET_EMBEDDED .TRUE.
      EMBED_CUBE_FILE_NAME h_h_pbe_pbe0_triplet_grid_restart_cube-spin_embed_pot_001-1_0.cube
      EMBED_SPIN_CUBE_FILE_NAME h_h_pbe_pbe0_triplet_grid_restart_cube-embed_pot_001-1_0.cube
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
      METHOD GPW
    &END QS
    &SCF
      MAX_SCF 100
      SCF_GUESS ATOMIC
      &OT
        PRECONDITIONER FULL_ALL
      &END OT
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &HF
        FRACTION 0.25
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.45
          POTENTIAL_TYPE TRUNCATED
          T_C_G_DATA t_c_g.dat
        &END INTERACTION_POTENTIAL
      &END HF
      &XC_FUNCTIONAL PBE
        &PBE
          SCALE_C 1.0
          SCALE_X 0.75
        &END PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 5.000 5.000 5.000
    &END CELL
    &COORD
      H      1.75  4.25 0.0
    &END COORD
    &KIND H
      BASIS_SET ORB cc-TZ
      BASIS_SET RI_AUX RI_TZ
      POTENTIAL GTH-HF-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
