&GLOBAL
  PRINT_LEVEL LOW
  PROJECT_NAME NH3_ONEDFT_PBE_REFERENCE
  RUN_TYPE ENERGY
&END GLOBAL

&DEBUG
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    MULTIPLICITY 1
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    UKS FALSE
    &MGRID
      CUTOFF 400
      REL_CUTOFF 50
    &END MGRID
    &POISSON
      PERIODIC XYZ
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-10
      EXTRAPOLATION USE_PREV_WF
    &END QS
    &SCF
      EPS_SCF 1.0E-8
      MAX_SCF 80
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
      &END DIAGONALIZATION
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PBE
        &END PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC XYZ
    &END CELL
    &COORD
      N 3.000000 3.000000 3.000000
      H 3.000000 3.937700 2.618000
      H 2.187900 2.531150 2.618000
      H 3.812100 2.531150 2.618000
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND N
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q5
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
