# Jobname
jobname  I_ggapbe_paw_002

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      53   53.0
electron_config  14   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   0.0   0
    5s   2.0   1
    5p   5.0   1
    5d   0.0   0
    5f   0.0   0

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

# Pseudopotential (pp_type : nc, general, none)
pseudo_potential   general
   local     special   polynomial
             rcut      2.30
             vcut      0.00
   orbitals   3
    5s       us      2
             2.20    0.0     1.0
             2.20   +0.5     1.0
    5p       us      2
             2.30    0.0     1.0
             2.30   +0.5     1.0
    5d       us      1
             2.60   +1.0     1.0
 phi_np       5      
 phi_gmesh   800     3.0    40.0
 qps_np       5     
 qps_gmesh   600     9.0    40.0

# Deficit charge
deficit_charge  angular
lmax_qps   4
   0    1.60
   1    1.60
   2    1.60
   3    1.80
   4    1.80

# Core correction
core_correction  pcc  polynomial
   rcut        1.30
   np           4
   gmesh       600   9.0   40.0

# Solve PP spin
solve_pp_spin
   spin  polarized  manual
     5s   1.0   1.0
     5p   3.0   2.0
     5d   0.0   0.0
   mix     0.30    

# PAW
sw_paw     1

# End of input data
end

