# Jobname
jobname  Uus_ggapbe_paw_001

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number     117   117.0
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  14.0   1
    6s   2.0   1
    6p   6.0   1
    6d  10.0   1
    7s   2.0   1
    7p   5.0   1

# 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       2.40
             vcut       0.00
   orbitals   3
    6d       us      2
             2.30    0.0     1.1
             2.30   +0.3     1.1
    7s       nc      1
             2.40    0.0     1.1
    7p       nc      1
             2.40    0.0     1.1
 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   1.00
   1   1.15
   2   1.20
   3   1.30
   4   1.35

# PCC
core_correction pcc polynomial
  rcut     0.85
  np       4
  gmesh    600   14.0   40.0

# Solve PP spin
solve_pp_spin
   spin  polarized  manual
     6d   5.0   5.0
     7s   1.0   1.0
     7p   3.0   2.0
   mix    0.30

# PAW
sw_paw     1

# End of input data
end

