&GLOBAL
  PROGRAM_NAME ATOM
&END GLOBAL
&ATOM
  ELEMENT Li

  RUN_TYPE PSEUDOPOTENTIAL_OPTIMIZATION

  ELECTRON_CONFIGURATION  [He] 2s1
  CORE [He]
  MAX_ANGULAR_MOMENTUM 2

  &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

  &AE_BASIS
     BASIS_TYPE GEOMETRICAL_GTO
  &END AE_BASIS
  &PP_BASIS
     BASIS_TYPE GEOMETRICAL_GTO
  &END PP_BASIS
  &POTENTIAL
    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
    CONFINEMENT_TYPE  BARRIER
    CONFINEMENT 200. 4.0 12.0
  &END POTENTIAL

  &POWELL
     ACCURACY   1.e-14
     STEP_SIZE  0.1
     MAX_INIT   1
     MAX_FUN    20
     STEP_SIZE_SCALING  0.90
     WEIGHT_PSIR0 0.0
     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
     SEMICORE_LEVEL       [eV]         15.0
     PREOPT_NLCC                          T
     NOOPT_NLCC                           T
  &END
&END ATOM

