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

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    UKS .TRUE.
    MULTIPLICITY 2
    BASIS_SET_FILE_NAME  BASIS_RI_cc-TZ
    POTENTIAL_FILE_NAME   HF_POTENTIALS
    &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
      METHOD GPW
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
    &END QS
    &SCF
      &OT
       PRECONDITIONER FULL_ALL
      &END
      SCF_GUESS ATOMIC
      MAX_SCF 100
      &PRINT
        &RESTART OFF
        &END
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
          &PBE
             SCALE_X 0.75
             SCALE_C 1.0
          &END
      &END XC_FUNCTIONAL
      &HF
        FRACTION 0.25
        &INTERACTION_POTENTIAL
           POTENTIAL_TYPE TRUNCATED
           CUTOFF_RADIUS  2.45
           T_C_G_DATA  t_c_g.dat
         &END

      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom]  5.000   5.000  5.000
    &END CELL
    &KIND H
      BASIS_SET ORB  cc-TZ
      BASIS_SET RI_AUX  RI_TZ
      POTENTIAL  GTH-HF-q1
    &END KIND
    &COORD
  H      1.75  4.25 0.0
    &END
  &END SUBSYS
&END FORCE_EVAL

