# Jobname
jobname  Ir_ggapbe_paw_001

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

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

# Pseudopotential (pp_type : nc, general, none)
#                 (local : orbital, special)
pseudo_potential   general
   local     orbital    p
   orbitals   4
    6s       nc      1
             2.80    0.0     1.3
    6p       nc      1
             2.60    0.0     1.3
    5d       us      1
             2.50    0.0     1.3
    6d       us      1
             2.50    0.4     1.3
 phi_np       5
 phi_gmesh   800     4.5    40.0
 qps_np       5
 qps_gmesh   600    14.0    40.0

# Defict charge
deficit_charge angular
lmax_qps   4
   0   1.10
   1   1.30
   2   1.30
   3   1.30
   4   1.30

# Core correction
core_correction  pcc  polynomial
   rcut        1.10
   np           4
   gmesh       400   12.0d0  40.0d0

# Solve PP spin
solve_pp_spin
   spin  polarized  manual
     6s   1.0   1.0
     6p   0.0   0.0
     5d   5.0   2.0
     6d   0.0   0.0
   mix    0.3

# PAW
sw_paw     1

# End of input data
end

