# Jobname
jobname  Y_ggapbe_us_01

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number       39   39.0
electron_config   12   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   1.0   1
    5s   2.0   1
    5p   0.0   1
    5d   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       2.60
             vcut       0.00
   orbitals   4
    5s       nc      1
             2.80    0.0     1.3
    5p       nc      1
             3.10    0.0     1.3
    4d       us      1
             2.60    0.0     1.3
    5d       us      1
             2.60    0.2     1.3
 phi_np       5
 phi_gmesh   800     3.5    40.0
 qps_np       5
 qps_gmesh   600    13.0    40.0

# Deficit charge
deficit_charge angular
lmax_qps  4
   0   1.20
   1   1.60
   2   1.60
   3   1.60
   4   1.60

# PCC
core_correction pcc polynomial
  rcut     1.90
  np       4
  gmesh    400   12.0   40.0

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

# End of input data
end

