&GLOBAL
  PROJECT USPEX
  PRINT_LEVEL MEDIUM
  RUN_TYPE CELL_OPT
&END GLOBAL
&MOTION
  &CELL_OPT
    TYPE DIRECT_CELL_OPT
    @INCLUDE 'pressure.uspex'
    PRESSURE_TOLERANCE 100.0
    MAX_DR    1.0E-04
    MAX_FORCE 1.0E-03
    RMS_DR    1.0E-04    
    RMS_FORCE 1.0E-03
    MAX_ITER 500
  &END
  &PRINT
    &TRAJECTORY
      LOG_PRINT_KEY .TRUE.
      FORMAT XYZ
      &EACH
         CELL_OPT 1
      &END EACH
    &END TRAJECTORY
    &CELL
     &EACH 
       CELL_OPT 1
     &END EACH
    &END CELL
    &RESTART OFF
    &END
    &RESTART_HISTORY OFF
    &END
  &END PRINT
&END MOTION  
&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &PRINT
    &STRESS_TENSOR
      ADD_LAST NUMERIC
    &END STRESS_TENSOR
    &FORCES
      &EACH
         CELL_OPT 1
      &END EACH
    &END FORCES
    &GRID_INFORMATION off
    &END GRID_INFORMATION
  &END PRINT
  &DFT
    &KPOINTS
      SCHEME MONKHORST-PACK 3 3 3
    &END KPOINTS
    &QS
      METHOD xTB
      &xTB
        DO_EWALD    TRUE
        &PARAMETER
		  DISPERSION_PARAMETER_FILE dftd3.dat
          PARAM_FILE_NAME xTB_parameters
        &END PARAMETER
      &END 
      EPS_DEFAULT 1.0E-8
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 250
     &MIXING
       METHOD DIRECT_P_MIXING
       ALPHA 0.3
       MAX_STEP 0.08
     &END MIXING
     &PRINT
       &RESTART OFF
       &END
     &END
    &END SCF
  &END DFT
  &SUBSYS
  @INCLUDE 'subsys.uspex'
  &END SUBSYS
&END FORCE_EVAL
