# Jobname
jobname  N_ggapbe_us_02

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number       7    7.0
electron_config   6   srel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   3.0   1
    3s   0.0   1
    3p   0.0   1
    3d   0.0   1

# Exchange-correlation potential 
#   (xc_type : ldapz81, ldapw91, ggapbe, xlda, none)
xc_potential   ggapbe

# Pseudopotential (pp_type : nc, general, none)
pseudo_potential   general
   local     orbital   d
   orbitals   3
    2s       us      2
             1.30    0.0     1.0
             1.30   +0.4     1.0
    2p       us      2
             1.40    0.0     1.0
             1.40   +0.4     1.0
    3d       nc      1
             1.40   +0.5     1.0
 phi_np       5      
 phi_gmesh   800     4.5    40.0
 qps_np       5     
 qps_gmesh   600    12.5    40.0

# Deficit charge
deficit_charge  angular
lmax_qps   4
   0    0.80
   1    1.10
   2    1.20
   3    1.20
   4    1.20

# Solve PP spin
solve_pp_spin
   spin  polarized  manual
     2s   1.0   1.0
     2p   3.0   0.0
     3d   0.0   0.0
   mix     0.30    

# End of input data
end

