# Jobname
jobname  P_ggapbe_paw_003

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      15   15.0
electron_config   6   srel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   3.0   1
    3d   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      1.70
             vcut      0.00
   orbitals   3
    3s       us      2
             1.70    0.0     1.0
             1.70   +0.5     1.0
    3p       us      2
             1.70    0.0     1.0
             1.70   +0.5     1.0
    3d       us      1
             2.00   +1.0     1.0
 phi_np       5      
 phi_gmesh   800     3.5    40.0
 qps_np       5     
 qps_gmesh   600    11.0    40.0

# Deficit charge
deficit_charge  angular
lmax_qps   4
   0    1.30
   1    1.30
   2    1.30
   3    1.50
   4    1.50

# Core correction
core_correction  pcc  polynomial
   rcut        0.90
   np           4
   gmesh       600   11.0   40.0

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

# PAW
sw_paw     1

# End of input data
end

