# Jobname
jobname  Ir_ldapw91_nc_01

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      77   77.0
electron_config  19   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   7.0   1
    5f   0.0   0
    6s   2.0   1
    6p   0.0   1
    6d   0.0   0
    7s   0.0   0
    7p   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    p
   orbitals   3
    6s       2.70
    6p       3.00
    5d       2.70

# Solve PP spin
solve_pp_spin
spin  polarized  manual
   6s   1.00   1.00
   6p   0.00   0.00
   5d   5.00   2.00
mix     0.30    

# End of input data
end

