&FORCE_EVAL
  METHOD Quickstep
  &PRINT
    &STRESS_TENSOR
      COMPONENTS
      &EACH
        GEO_OPT 1
      &END EACH
!      FILENAME =graph_b111_gapw_pade.stress
    &END STRESS_TENSOR
    &FORCES ON
      &EACH
        QS_SCF 0
      &END EACH
!      FILENAME =graph_b111_gapw_pade.forces
      ADD_LAST NUMERIC
    &END FORCES

  &END

  &DFT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    RESTART_FILE_NAME graph_b111_gapw_pade_gop-RESTART.wfn
    &MGRID
      CUTOFF 80
    &END MGRID
    &QS
      METHOD GAPW
      EPS_DEFAULT 1.0E-6
      EXTRAPOLATION ASPC
      EXTRAPOLATION_ORDER 5
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-2
      MAX_SCF 10
      &OT
        MINIMIZER CG
        PRECONDITIONER FULL_ALL
        ENERGY_GAP 0.01
      &END
      &OUTER_SCF
        EPS_SCF 1.0E-2
        MAX_SCF 2
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      A 1.22800000 -2.12695839  0.00000000
      B 1.22800000  2.12695839  0.00000000
      C 0.00000000  0.00000000  6.69600000
    &END CELL
    &COORD
C    0.00000000  0.00000000  1.67400000
C    0.00000000  0.00000000  5.02200000
C    1.22800000  0.70898613  1.67400000
C    1.22800000 -0.70898613  5.02200000
    &END COORD
    &KIND C
      BASIS_SET DZVP-MOLOPT-SR-GTH
      !BASIS_SET SZV-GTH
      POTENTIAL GTH-PADE-q4
    &END KIND
  &END SUBSYS
  STRESS_TENSOR ANALYTICAL
&END FORCE_EVAL

&GLOBAL
  PROJECT graph_b111_gapw_pade_gop
  RUN_TYPE GEO_OPT
  PRINT_LEVEL MEDIUM
&END GLOBAL

&MOTION
 &GEO_OPT
    TYPE MINIMIZATION
    OPTIMIZER BFGS
    MAX_ITER 1
 &END GEO_OPT

  &PRINT
    &TRAJECTORY
      ADD_LAST NUMERIC
      &EACH
        GEO_OPT 1
      &END EACH
    &END TRAJECTORY
    &RESTART
      ADD_LAST NUMERIC
      &EACH
        GEO_OPT 1
      &END EACH
    &END RESTART

    &RESTART_HISTORY OFF
    &END
   &END PRINT
&END  MOTION
