# Jobname
jobname  Ga_ldapw91_us_01m

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      31   31.0
electron_config   9   srel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   6.0   1
    3d  10.0   1
    4s   2.0   1
    4p   1.0   1
    4d   0.0   0

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

# Pseudopotential (pp_type : nc, general, none)
#                 (local : orbital, special)
pseudo_potential   general
   local     special    polynomial
             rcut       2.20
             vcut       0.00
   orbitals   4
    4s       nc      1
             2.20    0.0     1.0
    4p       nc      1
             2.00    0.0     1.0
    3d       us      1
             2.20    0.0     1.0
    4d       us      1
             2.20    0.0     1.0
 phi_np       5
 phi_gmesh   800     4.5    40.0
 qps_np       5
 qps_gmesh   600    15.0    40.0

# Solve PP spin
solve_pp_spin   
   spin  polarized  1.0
   mix    0.30     

sw_write_ciaopp   1

# End of input data
end

