&GLOBAL
  PROGRAM_NAME ATOM
&END GLOBAL
&ATOM
  ELEMENT O

  RUN_TYPE PSEUDOPOTENTIAL_OPTIMIZATION

  ELECTRON_CONFIGURATION  [He] 2s2 2p4
  CORE [He]
  MAX_ANGULAR_MOMENTUM 2

  COULOMB_INTEGRALS ANALYTIC
  EXCHANGE_INTEGRALS ANALYTIC

  &METHOD
     METHOD_TYPE  KOHN-SHAM
     RELATIVISTIC DKH(2)
     &XC
       &XC_FUNCTIONAL
         &BECKE97
           PARAMETRIZATION B97GRIMME
         &END
       &END XC_FUNCTIONAL
     &END XC
  &END METHOD
  &OPTIMIZATION
    EPS_SCF 1.e-10
  &END
  &PRINT
    &BASIS_SET
    &END
  &END

  &AE_BASIS
     BASIS_TYPE GEOMETRICAL_GTO
     GRID_POINTS 100
  &END AE_BASIS
  &PP_BASIS
     BASIS_TYPE GEOMETRICAL_GTO
  &END PP_BASIS
  &POTENTIAL
    PSEUDO_TYPE GTH
    &GTH_POTENTIAL
    2    4    0    0
    0.241474531885       2  -16.691805741058    2.494605958440
       1
    0.220838245905       1   18.355844903927
    &END
  &END POTENTIAL

  &POWELL
     ! ACCURACY   1.e-12
     ACCURACY   1.e-0
     STEP_SIZE  0.25
     WEIGHT_PSIR0 0.1
  &END
&END ATOM
