&GLOBAL
  PROGRAM_NAME ATOM
  PROJECT Ce
&END GLOBAL

&ATOM
  ELECTRON_CONFIGURATION [Xe] 4f1 5d1 6s2
  ELEMENT Ce
  &AE_BASIS
    BASIS_TYPE GEOMETRICAL_GTO
    GEOMETRICAL_FACTOR 3.2
    GEO_START_VALUE 0.2
    NUM_GTO 10 10 5 5
    START_INDEX 0 0 4 4
  &END AE_BASIS
  &METHOD
    METHOD_TYPE KOHN-SHAM
    RELATIVISTIC DKH(3)
    &XC
      &XC_FUNCTIONAL PBE0
      &END XC_FUNCTIONAL
    &END XC
  &END METHOD
  &OPTIMIZATION
    DAMPING 0.8
    EPS_DIIS 100.
    MAX_ITER 12
    N_DIIS 6
  &END OPTIMIZATION
&END ATOM
