&GLOBAL
  PROJECT Nb
  PROGRAM_NAME ATOM
&END GLOBAL
&ATOM
  ELEMENT Nb
  ELECTRON_CONFIGURATION [Kr] 4d4 5s1
  MAX_ANGULAR_MOMENTUM 2
  &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
  &AE_BASIS
     BASIS_TYPE GEOMETRICAL_GTO
     NUM_GTO 14 14 10 
     START_INDEX 0 0 4
  &END AE_BASIS
&END ATOM
