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0.0000000000000000 0.0000000000000000 %ENDBLOCK PHONON_KPOINT_LIST %BLOCK PHONON_GAMMA_DIRECTIONS 0.0000000000000000 0.0000000000000000 0.0000000000000000 %ENDBLOCK PHONON_GAMMA_DIRECTIONS %BLOCK KPOINTS_LIST 0.3333333333333333 0.4375000000000000 0.4000000000000000 0.066666666666667 0.3333333333333333 0.4375000000000000 0.2000000000000000 0.066666666666667 0.3333333333333333 0.4375000000000000 0.0000000000000000 0.033333333333333 0.3333333333333333 0.3125000000000000 0.4000000000000000 0.066666666666667 0.3333333333333333 0.3125000000000000 0.2000000000000000 0.066666666666667 0.3333333333333333 0.3125000000000000 0.0000000000000000 0.033333333333333 0.3333333333333333 0.1875000000000000 0.4000000000000000 0.066666666666667 0.3333333333333333 0.1875000000000000 0.2000000000000000 0.066666666666667 0.3333333333333333 0.1875000000000000 0.0000000000000000 0.033333333333333 0.3333333333333333 0.0625000000000000 0.4000000000000000 0.066666666666667 0.3333333333333333 0.0625000000000000 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0.016666666666667 %ENDBLOCK KPOINTS_LIST %BLOCK SYMMETRY_OPS 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.500000000000000 0.500000000000000 0.500000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.500000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.500000000000000 0.500000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.500000000000000 0.500000000000000 0.500000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.500000000000000 -1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1.000000000000000 0.500000000000000 0.500000000000000 0.000000000000000 %ENDBLOCK SYMMETRY_OPS FIX_COM : false %BLOCK IONIC_CONSTRAINTS %ENDBLOCK IONIC_CONSTRAINTS %BLOCK EXTERNAL_EFIELD 0.0000000000 0.0000000000 0.0000000000 %ENDBLOCK EXTERNAL_EFIELD %BLOCK EXTERNAL_PRESSURE 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 %ENDBLOCK EXTERNAL_PRESSURE %BLOCK SPECIES_MASS B 10.8100004196 O 15.9989995956 Sr 87.6200027466 %ENDBLOCK SPECIES_MASS %BLOCK SPECIES_POT B B_00.recpot O O_00.recpot Sr Sr_00.recpot %ENDBLOCK SPECIES_POT %BLOCK SPECIES_LCAO_STATES B 2 O 2 Sr 4 %ENDBLOCK SPECIES_LCAO_STATES param file for Raman: task : Phonon+Efield continuation : default spin_polarized : false elec_energy_tol : 5.000000000000000e-007 cut_off_energy : 900.000000000000000 xc_functional : PBE efield_ignore_molec_modes : crystal efield_calc_ion_permittivity : true phonon_max_cycles : 100 phonon_sum_rule : true 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 : 500 calculate_raman : true raman_range_low : 0.000000000000000e+000 cm-1 raman_range_high : 1.000000000000000e+004 cm-1 backup_interval : 900 pdos_calculate_weights : false num_dump_cycles : 0 bs_write_eigenvalues : false param file for Phonon DOS: task : Phonon continuation : default spin_polarized : false elec_energy_tol : 5.000000000000000e-007 cut_off_energy : 900.000000000000000 xc_functional : PBE calculate_stress : false calculate_ELF : false popn_calculate : false calculate_hirshfeld : false calculate_densdiff : false phonon_calc_lo_to_splitting : true phonon_sum_rule : true born_charge_sum_rule : true backup_interval : 900 phonon_energy_tol : 1.000000000000000e-005 phonon_fine_method : interpolate phonon_force_constant_cutoff : 9.882832275000000 ang phonon_max_cycles : 100 bs_max_iter : 250 bs_max_cg_steps : 25 bs_eigenvalue_tol : 1.0e-9 pdos_calculate_weights : false num_dump_cycles : 0 bs_write_eigenvalues : false K-point file: MP_GRID : 3 8 5 MP_OFFSET : 0.000000000000000e+000 0.000000000000000e+000 0.000000000000000e+000 %BLOCK KPOINT_IMAGES 8 1 2 3 4 5 6 7 8 8 1 2 3 4 5 6 7 8 4 1 2 3 4 8 1 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