# Jobname
jobname  Pr_ggapbe_paw_001

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      59   59.0
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   3.0   1
    5s   2.0   1
    5p   6.0   1
    5d   0.0   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   ggapbe

# Pseudopotential (pp_type : nc, general, none)
pseudo_potential   general
   local     orbital    d
   orbitals   6
    5s       us      1
             2.20    0.0     1.1
    5p       us      1
             2.20    0.0     1.1
    5d       nc      1
             2.50    0.0     1.1
    4f       us      2
             2.55    0.0     1.1
             2.55   +0.5     1.1
    6s       us      1
             2.50    0.0     1.1
    6p       us      1
             2.50    0.0     1.1
 phi_np       5     
 phi_gmesh   800     5.5    40.0
 qps_np       5     
 qps_gmesh   600    18.0    40.0

# Defict charge
deficit_charge angular
lmax_qps   6
   0   1.00
   1   1.15
   2   1.20
   3   1.30
   4   1.35
   5   1.40
   6   1.50

# PCC
core_correction pcc polynomial
  rcut     0.80
  np       4
  gmesh    600   18.0   40.0

# Solve PP spin
solve_pp_spin
   spin  polarized  manual
     5s   1.0   1.0
     5p   3.0   3.0
     5d   0.0   0.0
     4f   3.0   0.0
     6s   1.0   1.0
     6p   0.0   0.0
   mix    0.30

# PAW
sw_paw     1

# End of input data
end

