task : BandStructure
continuation : default
comment : CASTEP calculation from Materials Studio
xc_functional : PBE
spin_polarized : true
spin :        0
opt_strategy : Speed
page_wvfns :        0
cut_off_energy :      380.000000000000000
grid_scale :        1.500000000000000
fine_grid_scale :        1.500000000000000
finite_basis_corr :        0
elec_energy_tol :   1.000000000000000e-005
max_scf_cycles :     6000
fix_occupancy : false
metals_method : dm
mixing_scheme : Pulay
mix_charge_amp :        0.500000000000000
mix_spin_amp :        2.000000000000000
mix_charge_gmax :        1.500000000000000
mix_spin_gmax :        1.500000000000000
mix_history_length :       20
perc_extra_bands :      72
smearing_width :        0.100000000000000
spin_fix :        6
num_dump_cycles : 0
bs_nextra_bands :       72
bs_xc_functional : PBE
bs_eigenvalue_tol :   1.000000000000000e-005
calculate_stress : false
calculate_ELF : false
popn_calculate : false
calculate_hirshfeld : false
calculate_densdiff : false
pdos_calculate_weights : true
bs_write_eigenvalues : true