The PERTURBO code has many calculation modes (specified by the calc_mode variable). Each calculation mode implies different mandatory and optional input parameters. In order to simplify and systematize the input files for the user, in the Perturbopy package we provide command input_generation for the automatic generation of the input files. More details could be found on the corresponding page of the Perturbopy website.
To get a typical input file without running the script, select the calculation type here:
Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&qe2pert
! ***Mandatory parameters***
l_qe2pert_prefix_end1_prefix_end2 = ''prefix''
l_qe2pert_outdir_end1_outdir_end2 = ''./tmp''
l_qe2pert_phdir_end1_phdir_end2 = ''phdir''
! coarse k grid (used to construct Wannier functions)
l_qe2pert_nk1_end1_nk1_end2 = 8
l_qe2pert_nk2_end1_nk2_end2 = 8
l_qe2pert_nk3_end1_nk3_end2 = 8
! number of wannier functions
l_qe2pert_num_wann_end1_num_wann_end2 = 1
! ***Optional parameters***
! l_qe2pert_dft_band_min_end1_dft_band_min_end2 = 1
! l_qe2pert_dft_band_max_end1_dft_band_max_end2 = 10000
! l_qe2pert_dis_win_min_end1_dis_win_min_end2 = -9999.0
! l_qe2pert_system_2d_end1_system_2d_end2 = .false.
! l_qe2pert_debug_end1_debug_end2 = .false.
! l_qe2pert_lwannier_end1_lwannier_end2 = .true.
! l_qe2pert_lspinmat_end1_lspinmat_end2 = .false.
! l_qe2pert_spn_formatted_end1_spn_formatted_end2 = .false.
! l_qe2pert_load_ephmat_end1_load_ephmat_end2 = .false.
! l_qe2pert_eig_corr_end1_eig_corr_end2 = ''
! l_qe2pert_polar_alpha_end1_polar_alpha_end2 = 1.0
! l_qe2pert_asr_end1_asr_end2 = ''crystal''
! l_qe2pert_thickness_2d_end1_thickness_2d_end2 = 6.0 ! Å
! l_qe2pert_spin_component_end1_spin_component_end2 = ''none''
! l_qe2pert_tdep_end1_tdep_end2 = .false.
! l_qe2pert_symmborn_end1_symmborn_end2 = .true.
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'bands'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'phdisp'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fqlist_end1_fqlist_end2 = ''
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'ephmat'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
l_pert_fqlist_end1_fqlist_end2 = ''
! ***Optional parameters***
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'setup'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
! ***Optional parameters***
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_find_efermi_end1_find_efermi_end2 = .false.
! l_pert_hole_end1_hole_end2 = .false.
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'imsigma'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
! ***Optional parameters***
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_polar_split_end1_polar_split_end2 = ''
! l_pert_fqlist_end1_fqlist_end2 = ''
! l_pert_sampling_end1_sampling_end2 = ''uniform''
! l_pert_cauchy_scale_end1_cauchy_scale_end2 = 0.05
! l_pert_nsamples_end1_nsamples_end2 = 100000
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'meanfp'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
l_pert_ftemper_end1_ftemper_end2 = ''
! ***Optional parameters***
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'trans-rta'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_scat_impl_end1_scat_impl_end2 = ''std''
! ***Optional parameters***
! l_pert_boltz_qdim_end1_boltz_qdim_end2(1) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(2) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(3) = 0
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_boltz_nstep_end1_boltz_nstep_end2 = 0
! l_pert_boltz_de_end1_boltz_de_end2 = 1.0 ! meV
! l_pert_trans_thr_end1_trans_thr_end2 = 0.002
! l_pert_hole_end1_hole_end2 = .false.
! l_pert_load_scatter_eph_end1_load_scatter_eph_end2 = .false.
! l_pert_tmp_dir_end1_tmp_dir_end2 = ''.''
! l_pert_full_ite_end1_full_ite_end2 = .true.
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'trans-ita'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_scat_impl_end1_scat_impl_end2 = ''std''
l_pert_boltz_nstep_end1_boltz_nstep_end2 = 0
! ***Optional parameters***
! l_pert_boltz_qdim_end1_boltz_qdim_end2(1) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(2) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(3) = 0
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_boltz_de_end1_boltz_de_end2 = 1.0 ! meV
! l_pert_trans_thr_end1_trans_thr_end2 = 0.002
! l_pert_hole_end1_hole_end2 = .false.
! l_pert_load_scatter_eph_end1_load_scatter_eph_end2 = .false.
! l_pert_tmp_dir_end1_tmp_dir_end2 = ''.''
! l_pert_full_ite_end1_full_ite_end2 = .true.
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'trans-mag-rta'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_scat_impl_end1_scat_impl_end2 = ''std''
l_pert_boltz_nstep_end1_boltz_nstep_end2 = 0
! ***Optional parameters***
! l_pert_boltz_qdim_end1_boltz_qdim_end2(1) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(2) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(3) = 0
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_boltz_de_end1_boltz_de_end2 = 1.0 ! meV
! l_pert_trans_thr_end1_trans_thr_end2 = 0.002
! l_pert_hole_end1_hole_end2 = .false.
! l_pert_load_scatter_eph_end1_load_scatter_eph_end2 = .false.
! l_pert_tmp_dir_end1_tmp_dir_end2 = ''.''
! l_pert_full_ite_end1_full_ite_end2 = .true.
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'trans-mag-ita'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_scat_impl_end1_scat_impl_end2 = ''std''
l_pert_boltz_nstep_end1_boltz_nstep_end2 = 0
! ***Optional parameters***
! l_pert_boltz_qdim_end1_boltz_qdim_end2(1) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(2) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(3) = 0
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_boltz_de_end1_boltz_de_end2 = 1.0 ! meV
! l_pert_trans_thr_end1_trans_thr_end2 = 0.002
! l_pert_hole_end1_hole_end2 = .false.
! l_pert_load_scatter_eph_end1_load_scatter_eph_end2 = .false.
! l_pert_tmp_dir_end1_tmp_dir_end2 = ''.''
! l_pert_full_ite_end1_full_ite_end2 = .true.
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'trans-pp'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
! ***Optional parameters***
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_boltz_de_end1_boltz_de_end2 = 1.0 ! meV
! l_pert_hole_end1_hole_end2 = .false.
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'dynamics-run'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_boltz_nstep_end1_boltz_nstep_end2 = 0
l_pert_output_nstep_end1_output_nstep_end2 = 1
l_pert_time_step_end1_time_step_end2 = 1.0 ! fs
l_pert_boltz_init_dist_end1_boltz_init_dist_end2 = ''
l_pert_scat_impl_end1_scat_impl_end2 = ''std''
! ***Optional parameters***
! l_pert_solver_end1_solver_end2 = ''rk4''
! l_pert_boltz_init_e0_end1_boltz_init_e0_end2 = -9999.0 ! eV
! l_pert_boltz_init_smear_end1_boltz_init_smear_end2 = 20.0 ! meV
! l_pert_boltz_init_ampl_end1_boltz_init_ampl_end2 = 0.1 ! arbitrary
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_boltz_qdim_end1_boltz_qdim_end2(1) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(2) = 0
! l_pert_boltz_qdim_end1_boltz_qdim_end2(3) = 0
! l_pert_hole_end1_hole_end2 = .false.
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_load_scatter_eph_end1_load_scatter_eph_end2 = .false.
! l_pert_tmp_dir_end1_tmp_dir_end2 = ''.''
! l_pert_boltz_efield_end1_boltz_efield_end2(1) = 0.0
! l_pert_boltz_efield_end1_boltz_efield_end2(2) = 0.0
! l_pert_boltz_efield_end1_boltz_efield_end2(3) = 0.0
! l_pert_boltz_norm_dist_end1_boltz_norm_dist_end2 = .false.
! l_pert_boltz_acc_thr_end1_boltz_acc_thr_end2 = 0.0 ! cm/s2
! l_pert_boltz_nstep_min_end1_boltz_nstep_min_end2 = 1
! l_pert_ph_mode_exclude_ranges_end1_ph_mode_exclude_ranges_end2 = -1
! l_pert_pump_pulse_end1_pump_pulse_end2 = .false.
! l_pert_pump_pulse_fname_end1_pump_pulse_fname_end2 = ''pump_pulse.h5''
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'dynamics-pp'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
! ***Optional parameters***
! l_pert_hole_end1_hole_end2 = .false.
! l_pert_boltz_de_end1_boltz_de_end2 = 1.0 ! meV
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
! l_pert_boltz_efield_end1_boltz_efield_end2(1) = 0.0
! l_pert_boltz_efield_end1_boltz_efield_end2(2) = 0.0
! l_pert_boltz_efield_end1_boltz_efield_end2(3) = 0.0
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'ephmat_spin'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
l_pert_fqlist_end1_fqlist_end2 = ''
! ***Optional parameters***
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'spins'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'imsigma_spin'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
! ***Optional parameters***
! l_pert_band_min_end1_band_min_end2 = 1
! l_pert_band_max_end1_band_max_end2 = 9999999
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_polar_split_end1_polar_split_end2 = ''
! l_pert_fqlist_end1_fqlist_end2 = ''
! l_pert_sampling_end1_sampling_end2 = ''uniform''
! l_pert_cauchy_scale_end1_cauchy_scale_end2 = 0.05
! l_pert_nsamples_end1_nsamples_end2 = 100000
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'spinlifetime'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_boltz_kdim_end1_boltz_kdim_end2(1) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(2) = 1
l_pert_boltz_kdim_end1_boltz_kdim_end2(3) = 1
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_band_min_end1_band_min_end2 = 1
l_pert_band_max_end1_band_max_end2 = 9999999
! ***Optional parameters***
! l_pert_boltz_emin_end1_boltz_emin_end2 = -9999.0 ! eV
! l_pert_boltz_emax_end1_boltz_emax_end2 = 9999.0 ! eV
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'spectral-re'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_band_min_end1_band_min_end2 = 1
l_pert_band_max_end1_band_max_end2 = 9999999
! ***Optional parameters***
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_sampling_end1_sampling_end2 = ''uniform''
! l_pert_cauchy_scale_end1_cauchy_scale_end2 = 0.05
! l_pert_nsamples_end1_nsamples_end2 = 100000
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'spectral-se'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_band_min_end1_band_min_end2 = 1
l_pert_band_max_end1_band_max_end2 = 9999999
l_pert_cum_inner_emin_end1_cum_inner_emin_end2 = -0.1
l_pert_cum_inner_emax_end1_cum_inner_emax_end2 = 0.1
l_pert_cum_outer_emin_end1_cum_outer_emin_end2 = -0.1
l_pert_cum_outer_emax_end1_cum_outer_emax_end2 = 0.1
! ***Optional parameters***
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_sampling_end1_sampling_end2 = ''uniform''
! l_pert_cauchy_scale_end1_cauchy_scale_end2 = 0.05
! l_pert_nsamples_end1_nsamples_end2 = 100000
! l_pert_cum_de_end1_cum_de_end2 = 0.1
! l_pert_cum_outer_np_end1_cum_outer_np_end2 = 1
/Input File:
(click on a parameter to get its description)
! This input file for PERTURBO was generated by Perturbopy
&perturbo
! ***Mandatory parameters***
l_pert_calc_mode_end1_calc_mode_end2 = 'spectral-cum'
l_pert_prefix_end1_prefix_end2 = ''
l_pert_fklist_end1_fklist_end2 = ''
l_pert_ftemper_end1_ftemper_end2 = ''
l_pert_band_min_end1_band_min_end2 = 1
l_pert_band_max_end1_band_max_end2 = 9999999
l_pert_cum_inner_emin_end1_cum_inner_emin_end2 = -0.1
l_pert_cum_inner_emax_end1_cum_inner_emax_end2 = 0.1
l_pert_cum_outer_emin_end1_cum_outer_emin_end2 = -0.1
l_pert_cum_outer_emax_end1_cum_outer_emax_end2 = 0.1
l_pert_spectral_emin_end1_spectral_emin_end2 = -0.1
l_pert_spectral_emax_end1_spectral_emax_end2 = 0.1
! ***Optional parameters***
! l_pert_phfreq_cutoff_end1_phfreq_cutoff_end2 = 1.0 ! meV
! l_pert_delta_smear_end1_delta_smear_end2 = 10.0 ! meV
! l_pert_sampling_end1_sampling_end2 = ''uniform''
! l_pert_cauchy_scale_end1_cauchy_scale_end2 = 0.05
! l_pert_nsamples_end1_nsamples_end2 = 100000
! l_pert_cum_de_end1_cum_de_end2 = 0.1
! l_pert_cum_outer_np_end1_cum_outer_np_end2 = 1
/