# Jobname
jobname  H_ldapw91_us_01

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number       1    1.0
electron_config   6   srel  restricted 
    1s   1.0   1
    2s   0.0   0
    2p   0.0   0
    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     orbital    d
   orbitals   3
    1s       us      2 
             0.85    0.0     0.8
             0.85    1.2     0.8
    2p       nc      1
             0.85    0.0     0.8
    3d       nc      1
             0.85    0.0     0.8
 phi_np       6     
 phi_gmesh   500     5.5    40.0
 qps_np       5
 qps_gmesh   500    18.5    40.0

# Deficit charge
deficit_charge  angular
lmax_qps    2
   0    0.80
   1    0.80
   2    0.80

# Solve PP spin 
solve_pp_spin
   spin  polarized  1.0
   mix    0.30

# End of input data
end
