# Jobname
jobname  Fe_ggapbe_paw_001

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      26   26.0
electron_config  10   srel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   6.0   1
    3d   6.0   1
    4s   2.0   1
    4p   0.0   0
    4d   0.0   0
    4f   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 orbital s
   orbitals   3
    4s       nc      1
             2.20    0.0     0.6
    4p       nc      1
             2.20    0.8     0.6
    3d       us      1
             1.60    0.0     1.0
 phi_np       6     
 phi_gmesh   500     5.0    40.0
 qps_np       5     
 qps_gmesh   500    20.0    40.0

# PCC
core_correction pcc polynomial
  rcut     0.8
  np       4
  gmesh    400   20.0   40.0

# Solve PP spin 
solve_pp_spin
   spin  polarized  manual
     4s   1.0   1.0
     4p   0.0   0.0
     3d   5.0   1.0 
   mix    0.3

# PAW
sw_paw     1

# End of input data
end

