&GLOBAL
  PROJECT  CH_dyn_screen
  PRINT_LEVEL LOW
  RUN_TYPE MD
  &TIMINGS
     THRESHOLD 0.01
  &END
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS  1
    TEMPERATURE 300.0
  &END
&END MOTION
&FORCE_EVAL
  METHOD Quickstep
  &PRINT
     &FORCES MEDIUM
     &END FORCES
  &END PRINT
  &DFT
    BASIS_SET_FILE_NAME  GTH_BASIS_SETS
    BASIS_SET_FILE_NAME  HFX_BASIS
    POTENTIAL_FILE_NAME  POTENTIAL
#    AUTO_BASIS RI_AUX MEDIUM
    &MGRID
      CUTOFF  100
      REL_CUTOFF  20
    &END MGRID
    &QS
      METHOD GPW
      EPS_DEFAULT 1.0E-10
      EPS_PGF_ORB 1.0E-20
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      MAX_SCF 100
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        FRACTION 1.0000000
        &SCREENING
          EPS_SCHWARZ 1.0E-4
          EPS_SCHWARZ_FORCES 1.0E-4
          SCREEN_ON_INITIAL_P .TRUE.
        &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 0.1
          FREE_HFX_BUFFER .TRUE.
        &END
        &INTEGRALS
        &WFC_GPW
          CUTOFF  20
          REL_CUTOFF 7
          EPS_GRID 1.0E-4
          EPS_FILTER 1.0E-4
        &END WFC_GPW
        &END INTEGRALS
        MEMORY  500.0
        NUMBER_PROC  1
      &END
    &END XC
    UKS
    MULTIPLICITY  2
  &END DFT
  &SUBSYS
    &VELOCITY
          -3.2622994705992867E-05    7.7514555791024684E-05    3.9686497130956002E-05
           0.0                       0.0                       0.0
    &END VELOCITY
#          -2.5559027122990370E-04   -9.2228252501752594E-04    4.5286618039725633E-04
#           1.6657210614800535E-04   -8.4758917186367037E-04   -2.2362984387179316E-03
#           0.0                       0.0                       0.0
#    &END VELOCITY
    &CELL
      ABC [angstrom] 5.0 5.0 5.0
    &END CELL
    &KIND H
      BASIS_SET  SZV-GTH
      BASIS_SET RI_AUX  RI_DZVP-GTH
      POTENTIAL  GTH-HF-q1
    &END KIND
    &KIND C
      BASIS_SET  SZV-GTH
      BASIS_SET RI_AUX  RI_DZVP-GTH
      POTENTIAL  GTH-HF-q4
    &END KIND
    &TOPOLOGY
      COORD_FILE_NAME  CH.xyz
      COORD_FILE_FORMAT xyz
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
