&GLOBAL
  PROJECT Li
  PROGRAM_NAME ATOM
&END GLOBAL
&ATOM
  ELEMENT Li
  ELECTRON_CONFIGURATION  1s2 2s1
  &METHOD
     METHOD_TYPE  KOHN-SHAM
     &XC
       &XC_FUNCTIONAL PBE
       &END XC_FUNCTIONAL
     &END XC
  &END METHOD
  &AE_BASIS
    BASIS_TYPE CONTRACTED_GTO
    BASIS_SET DZVP-MONTREAL-ALL
  &END AE_BASIS
&END ATOM
