&GLOBAL
  PROJECT LiH-stress-pbe-uks
  RUN_TYPE GEO_OPT
  PRINT_LEVEL low
  WALLTIME 600
&END GLOBAL
&MOTION
  &GEO_OPT
    OPTIMIZER BFGS
    MAX_ITER  2
    MAX_DR    0.001
    RMS_DR    0.0005
    MAX_FORCE 0.00015
    RMS_FORCE 0.0001
  &END GEO_OPT
  &PRINT
    &STRESS
    &END STRESS
    &STRUCTURE_DATA
      DISTANCE 1 5
    &END STRUCTURE_DATA
  &END PRINT
&END MOTION
&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR analytical
  &DFT
    UKS
    MULTIPLICITY 9
    BASIS_SET_FILE_NAME ./LiH.qbf
    POTENTIAL_FILE_NAME ./LiH.qpf
    &MGRID
      CUTOFF 200
    &END MGRID
    &PRINT
      &DFT_CONTROL_PARAMETERS
      &END DFT_CONTROL_PARAMETERS
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-8
      EXTRAPOLATION use_prev_p
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      MAX_SCF 30
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &STRESS_TENSOR
     COMPONENTS
    &END STRESS_TENSOR
  &END PRINT
  &SUBSYS
    &CELL
      ABC 6.187 6.187 6.187
    &END CELL
    &COORD
 SCALED
Li  0.000 0.000 0.000
Li  0.500 0.500 0.000
Li  0.500 0.000 0.500
Li  0.000 0.500 0.500
H   0.000 0.500 0.000
H   0.000 0.000 0.500
H   0.500 0.000 0.000
H   0.500 0.500 0.500
    &END COORD
    &KIND H
      BASIS_SET DZV-GTH-q1
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND Li
      BASIS_SET DZV-GTH-q3
      POTENTIAL GTH-PBE-q3
    &END KIND
    &PRINT
      &CELL
      &END CELL
      &KINDS
        BASIS_SET
        POTENTIAL
      &END KINDS
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL
