task : Phonon+Efield
continuation : default
comment : CASTEP calculation from Materials Studio
xc_functional : PBE
sedc_apply : true
sedc_scheme : TS
spin_polarized : false
opt_strategy : Speed
page_wvfns :        0
cut_off_energy :   1.000000000000000e+003
grid_scale :        2.000000000000000
fine_grid_scale :        3.000000000000000
finite_basis_corr :        0
elec_energy_tol :   1.000000000000000e-012
elec_eigenvalue_tol :   1.000000000000000e-013
max_scf_cycles :      900
fix_occupancy : true
metals_method : dm
mixing_scheme : Pulay
mix_charge_amp :        0.500000000000000
mix_charge_gmax :        1.500000000000000
mix_history_length :       20
nextra_bands : 0
num_dump_cycles : 0
efield_ignore_molec_modes : crystal
efield_calc_ion_permittivity : true
phonon_max_cycles : 900
phonon_sum_rule_method : reciprocal
efield_energy_tol :   1.000000000000000e-005
excited_state_scissors :   0.000000000000000e+000
calculate_born_charges : true
born_charge_sum_rule : true
bs_max_iter : 200
efield_max_cycles : 900
backup_interval : 900
pdos_calculate_weights : false
spectral_write_eigenvalues : false
