# Jobname
jobname  sample_ae

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   nonrel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   2.0   1
    3d   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   13.0
electron_config   6   nonrel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   1.0   1
    3d   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      13.8   13.8
electron_config   6   nonrel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   1.8   1
    3d   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   nonrel  polarized
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   2.0   1
    3d   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   nonrel  polarized  2.0
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   2.0   1
    3d   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   nonrel  polarized  manual
    1s   1.0   1.0   1
    2s   1.0   1.0   1
    2p   3.0   3.0   1
    3s   1.0   1.0   1
    3p   2.0   0.0   1
    3d   0.0   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   srel  restricted
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   2.0   1
    3d   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   srel  polarized  2.0
    1s   2.0   1
    2s   2.0   1
    2p   6.0   1
    3s   2.0   1
    3p   2.0   1
    3d   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   srel  polarized  manual
    1s   1.0   1.0   1
    2s   1.0   1.0   1
    2p   3.0   3.0   1
    3s   1.0   1.0   1
    3p   2.0   0.0   1
    3d   0.0   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config   6   rel  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
    4f   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      14   14.0
electron_config  10   rel  polarized  1.0
    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
    4f   0.0   0

# Atom number & Electron configuration
#   (calc_type : nonrel, srel, rel)
#   (spin_type : restricted, polarized)
atom_number      31   31.0
electron_config  10   rel  polarized  manual
    1s   1.0   1.0   1
    2s   1.0   1.0   1
    2p   3.0   3.0   1
    3s   1.0   1.0   1
    3p   3.0   3.0   1
    3d   5.0   5.0   1
    4s   1.0   1.0   1
    4p   1.0   0.0   1
    4d   0.0   0.0   0
    4f   0.0   0.0   0

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

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

# Mesh (mesh_type : manual, standard)
rmesh   standard

# Mesh (mesh_type : manual, standard)
rmesh   manual
   num       1000
   range     1.d-6   60.d0

# Convergence criteria
conv
   loop_conv    250
   dee_conv     5.d-9

# Switches
sw_calc_hubbard  1
sw_write_rho     1
sw_debug         0

# End of input data
end

