# Jobname
jobname  O_ldapw91_nc_01m

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number       8    8.0
electron_config   6   srel  restricted 
    1s   2.0   1
    2s   2.0   1
    2p   4.0   1
    3s   0.0   0
    3p   0.0   0
    3d   0.0   0

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

# Pseudopotential (pp_type : nc, general, none)
pseudo_potential   general
   local     special    polynomial
             rcut       1.39
             vcut       0.00
   orbitals   3
    2s       nc      1 
             1.39    0.0            0.6
    2p       nc      1
             1.39    0.0            0.9
    3d       nc      1
             1.39    0.0            1.2
 phi_np       5     
 phi_gmesh   800     4.5    40.0
 qps_np       5
 qps_gmesh   600    13.5    40.0

# Solve PP spin 
solve_pp_spin
   spin  polarized  manual
     2s   1.0   1.0
     2p   3.0   1.0  
     3d   0.0   0.0  
   mix    0.3

# End of input data
end
