&GLOBAL
  PROGRAM_NAME ATOM
  PROJECT Nb
&END GLOBAL

&ATOM
  ELECTRON_CONFIGURATION [Kr] 4d4 5s1
  ELEMENT Nb
  MAX_ANGULAR_MOMENTUM 2
  &AE_BASIS
    BASIS_TYPE GEOMETRICAL_GTO
    NUM_GTO 14 14 10
    START_INDEX 0 0 4
  &END AE_BASIS
  &METHOD
    METHOD_TYPE KOHN-SHAM
    RELATIVISTIC DKH(2)
    &XC
      &XC_FUNCTIONAL B3LYP
      &END XC_FUNCTIONAL
    &END XC
  &END METHOD
  &OPTIMIZATION
    EPS_SCF 1.e-5
  &END OPTIMIZATION
&END ATOM
