# Jobname
jobname  Cd_ggapbe_paw_001

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      48   48.0
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   0.0   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       2.20
             vcut       0.00
   orbitals   4
    5s       nc      1
             2.20    0.0     1.0
    5p       nc      1
             2.20    0.0     1.0
    4d       us      1
             2.00    0.0     1.0
    5d       us      1
             2.20    0.0     1.0
 phi_np       5      
 phi_gmesh   800     4.5    40.0
 qps_np       5     
 qps_gmesh   600    15.0    40.0

# Deficit charge
deficit_charge  angular
lmax_qps   4
   0    0.80
   1    1.00
   2    1.00
   3    1.00
   4    1.00

# Solve PP spin
solve_pp_spin
   spin  polarized  0.0
   mix     0.30    

# PAW
sw_paw     1

# End of input data
end

