&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT_NAME copper
  RUN_TYPE CELL_OPT
&END GLOBAL

&MOTION
  &CELL_OPT
    EPS_SYMMETRY 1.e-4
    KEEP_ANGLES T
    KEEP_SPACE_GROUP T
    KEEP_SYMMETRY T
    MAX_ITER 1
    OPTIMIZER LBFGS
  &END CELL_OPT
&END MOTION

&FORCE_EVAL
  METHOD QS
  STRESS_TENSOR ANALYTICAL
  &DFT
    CHARGE 0
    MULTIPLICITY 1
    &POISSON
      PERIODIC XYZ
      POISSON_SOLVER PERIODIC
    &END POISSON
    &QS
      METHOD XTB
      &XTB
        DO_EWALD T
      &END XTB
    &END QS
    &SCF
      ADDED_MOS 20
      EPS_SCF 1.E-5
      MAX_SCF 100
      SCF_GUESS ATOMIC
      &MIXING
        METHOD BROYDEN_MIXING
      &END MIXING
      &SMEAR ON
        ELECTRONIC_TEMPERATURE 300
        METHOD FERMI_DIRAC
      &END SMEAR
    &END SCF
  &END DFT
  &PRINT
    &STRESS_TENSOR ON
    &END STRESS_TENSOR
  &END PRINT
  &SUBSYS
    &CELL
      A 3.6150000000 0.0000000000 0.0000000000
      B 0.0000000000 3.6150000000 0.0000000000
      C 0.0000000000 0.0000000000 3.6150000000
      MULTIPLE_UNIT_CELL 1 1 1
      PERIODIC XYZ
      SYMMETRY CUBIC
    &END CELL
    &COORD
      Cu      0.0000000000  0.0000000000  0.0000000000
      Cu      0.5000000000  0.0000000000  0.5000000000
      Cu      0.5000000000  0.5000000000  0.0000000000
      Cu      0.0000000000  0.5000000000  0.5000000000
      UNIT angstrom
      SCALED  T
    &END COORD
    &TOPOLOGY
      MULTIPLE_UNIT_CELL 1 1 1
      NUMBER_OF_ATOMS 4
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
