 &GLOBAL
   PRINT_LEVEL  MEDIUM
   PROJECT_NAME copper
   RUN_TYPE  CELL_OPT
 &END GLOBAL
 &MOTION
   &CELL_OPT
     OPTIMIZER LBFGS
     MAX_ITER  1
     KEEP_ANGLES  T
     KEEP_SYMMETRY  T
     KEEP_SPACE_GROUP T
     EPS_SYMMETRY 1.e-4
   &END CELL_OPT
 &END MOTION
 &FORCE_EVAL
   METHOD  QS
   STRESS_TENSOR  ANALYTICAL
   &DFT
     MULTIPLICITY  1
     CHARGE  0
     &SCF
       MAX_SCF  100
       SCF_GUESS  ATOMIC
       EPS_SCF 1.E-5
       ADDED_MOS  20
       &SMEAR ON
         METHOD FERMI_DIRAC
         ELECTRONIC_TEMPERATURE 300
       &END SMEAR
       &MIXING
         METHOD BROYDEN_MIXING
       &END MIXING
     &END SCF
     &QS
       METHOD XTB
       &XTB
         DO_EWALD  T
       &END XTB
     &END QS
     &POISSON
       POISSON_SOLVER  PERIODIC
       PERIODIC  XYZ
     &END POISSON
   &END DFT
   &SUBSYS
     &CELL
       A  3.6150000000         0.0000000000         0.0000000000
       B  0.0000000000         3.6150000000         0.0000000000
       C  0.0000000000         0.0000000000         3.6150000000
       PERIODIC  XYZ
       MULTIPLE_UNIT_CELL  1 1 1
       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
       NUMBER_OF_ATOMS  4
       MULTIPLE_UNIT_CELL  1 1 1
     &END TOPOLOGY
   &END SUBSYS
  &PRINT
     &STRESS_TENSOR  ON
     &END STRESS_TENSOR
   &END PRINT
 &END FORCE_EVAL
