&GLOBAL
  PROGRAM_NAME ATOM
&END GLOBAL

&ATOM
  CORE [He]
  ELECTRON_CONFIGURATION [He] 2s1
  ELEMENT Li
  MAX_ANGULAR_MOMENTUM 2
  RUN_TYPE PSEUDOPOTENTIAL_OPTIMIZATION
  &AE_BASIS
    BASIS_TYPE GEOMETRICAL_GTO
  &END AE_BASIS
  &METHOD
    METHOD_TYPE KOHN-SHAM
    RELATIVISTIC DKH(3)
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END METHOD
  &OPTIMIZATION
    EPS_SCF 1.e-8
  &END OPTIMIZATION
  &POTENTIAL
    CONFINEMENT 200. 4.0 12.0
    CONFINEMENT_TYPE BARRIER
    PSEUDO_TYPE GTH
    &GTH_POTENTIAL
      1    0    0    0
      0.62945358642262       2   -1.59552429936639    0.40867157960381
      NLCC 1
      0.62741295302047       1   22.95670274799660
      2
      0.70551855332551       1    2.20970642447945
      1.12054973659941       1    0.08625487394423
    &END GTH_POTENTIAL
  &END POTENTIAL
  &POWELL
    ACCURACY 1.e-14
    MAX_FUN 20
    MAX_INIT 1
    NOOPT_NLCC T
    PREOPT_NLCC T
    SEMICORE_LEVEL [eV] 15.0
    STEP_SIZE 0.1
    STEP_SIZE_SCALING 0.90
    TARGET_POT_SEMICORE [eV] 0.0300
    TARGET_POT_VALENCE [eV] 0.0030
    TARGET_POT_VIRTUAL [eV] 0.0300
    WEIGHT_POT_NODE 10.0
    WEIGHT_POT_SEMICORE 2.0
    WEIGHT_POT_VALENCE 5.0
    WEIGHT_POT_VIRTUAL 1.0
    WEIGHT_PSIR0 0.0
  &END POWELL
  &PP_BASIS
    BASIS_TYPE GEOMETRICAL_GTO
  &END PP_BASIS
&END ATOM
