# Jobname
jobname  Pb_ldapw91_us_01

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      82   82.0
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  10.0   1
    5f   0.0   0
    6s   2.0   1
    6p   2.0   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   general
   local     orbital p
   orbitals   3
    5d       us      1
             2.10    0.0     0.7
    6s       nc      1
             2.40    0.0     0.7
    6p       nc      1
             2.40    0.0     0.7
 phi_np       6     
 phi_gmesh   500     5.0    40.0
 qps_np       5     
 qps_gmesh   500    15.0    40.0

# Deficit charge
deficit_charge  angular
lmax_qps   4
   0    0.70
   1    1.00
   2    1.00
   3    1.00
   4    1.00

# Solve PP spin
solve_pp_spin
   spin  polarized  2.0
   mix     0.30    

# End of input data
end

