# Jobname
jobname  Au_ldapw91_nc_01

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      79   79.0
electron_config  17   srel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   6.0   1
    3d  10.0   1
    4s   2.0   1
    4p   6.0   1
    4d  10.0   1
    4f  14.0   1
    5s   2.0   1
    5p   6.0   1
    5d  10.0   1
    5f   0.0   0
    6s   1.0   1
    6p   0.0   1
    6d   0.0   0

# Exchange-correlation potential 
#   (xc_type : ldapz81, ldapw91, ggapbe, xlda, none)
xc_potential   ldapw91

# Pseudopotential (pp_type : nc, general, none)
pseudo_potential   nc
   local     orbital    s
   orbitals   3
    6s       2.20
    6p       2.40
    5d       2.20

# Solve PP spin
solve_pp_spin   
   spin  polarized  1.0
   mix      0.30     

# End of input data
end

