&GLOBAL
  PRINT_LEVEL LOW
  PROJECT test
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  CHECK_ATOM_FORCE 1 y
  DEBUG_FORCES T
  DEBUG_STRESS_TENSOR F
  DX 0.001
  STOP_ON_MISMATCH T
&END DEBUG

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL_UZH
    &MGRID
      CUTOFF 200
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC none
      POISSON_SOLVER MT
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &VDW_POTENTIAL
        DISPERSION_FUNCTIONAL PAIR_POTENTIAL
        &PAIR_POTENTIAL
          CALCULATE_C9_TERM T
          D4_CUTOFF 20.
          D4_REFERENCE_CODE F
          REFERENCE_FUNCTIONAL PBE
          R_CUTOFF 9.
          TYPE DFTD4
        &END PAIR_POTENTIAL
      &END VDW_POTENTIAL
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.0 9.0 9.0
      PERIODIC NONE
    &END CELL
    &KIND H
      BASIS_SET ORB SZV-GTH-PADE
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND C
      BASIS_SET ORB SZV-GTH-PADE
      POTENTIAL GTH-PBE-q4
    &END KIND
    &TOPOLOGY
      CONNECTIVITY OFF
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/ch4-ch4-in.xyz
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
