Keywords¶

Keyword	Description	Default	Type
`all_local_host`	=if true will send all the job on local host	`True`	boolean
`alpha`	NCA/OCA mixing for internal self consistence	`0.3`	float
`always_compute_static_obs`	if true will always compute static bosonic observables	`True`	boolean
`amp_slight_sym_breaking`	if finite it will induce a small symmetry breaking will be used for the polarized calculations in the impurity levels	`0.0`	float
`amp_slight_sym_breaking_all_iter`	if true the small symmetry breaking amp_slight_sym_breaking will be used at all DMFT iteration and not only at the first iteration	`True`	boolean
`assume_proj_overlap_is_diagonal`	if true the code will simplify the calculations by assuming that the projected overlap matrix is diagonal	`True`	boolean
`atom_d_command`	name of the command to run atom_d.py	`'atom_d.py'`	string
`average_green_ed`	if true will average the green function with the mask_sym_green_ed	`True`	boolean
`bath_nearest_hop`	whatever bath parametrization	`True`	boolean
`beta_ed_`	temperature for Boltzman weight. If =0. it will use the DMFT temperature	`0.0`	float
`block_size`	Block size (0 lets the routine decide)	`0`	integer
`cluster_dmft_green_for_self_consistence`	if true keeps the off diagonal self energy terms when sending back to onetep	`True`	boolean
`compute_dos`	=if true will run onetep only (1 iteration) to compute the density of states from a real frequency Solver	`True`	boolean
`compute_ed_spin_correlation`	if true will compute spin-spin correlations within ED	`True`	boolean
`copy_kernel`	if true will copy the kernel at each iteration to sc_dmft_full_iter	`True`	boolean
`cpt_correct_green_out`	if true will correct the output impurity green function with the CPT formula	`True`	boolean
`cpt_lagrange`	this is the lagrangian parameter for the weight V connecting to the large cluster	`0.0`	float
`cpt_upper_bound`	this is the upper bound on the V cpt parameters	`10000.0`	float
`ctqmc_erase_status`	if true will erase status file after each CTQMC iteration	`True`	boolean
`cubic`	=1 for cubic harmonics	`1`	integer
`cutoff_dynamic`	cutoff for computing dynamical green function	`1e-08`	float
`cutoff_energy`	energy plane wave cutoff	`850.0`	float
`cutoff_hamilt_param`	cutoff_hamilt_param: under this param the hamiltonian parameters are considered as 0	`0.001`	float
`cutoff_min_lanczos_vec`	cutoff for the minimal norm of a vector obtained in Lanczos	`1e-25`	float
`cutoff_rvb`	cutoff under which it is considered no more as rvb state but as normal state	`0.01`	float
`cutoff_simp_offdiag`	if off diag elements of simp smaller than cutoff	`0.01`	float
`debug_mode_erase_sigma`	if true erases the self energy files	`True`	boolean
`demax0`	max. energy of excited state to consider	`5.0`	float
`diag_bath`	takes into account only the diagonal elements of the bath	`True`	boolean
`diag_v`	if true bath V is diagonal	`True`	boolean
`diis_max`	number of kernel iterations kept for pullay mixing	`5`	integer
`dimer_average_occupation`	if true the occupation will be averaged on both sites of the dimer for the double counting correction	`True`	boolean
`dist_max`	max. error on hybridization functions	`1e-10`	float
`dmft_for_dimer`	if true the library treats the problem as a dimer	`True`	boolean
`dmft_kernel_process`	1-standard dmft kernel	`1`	integer
`dmft_spin`	spin of the DMFT self consistence. By default doing PM calculations	`1`	integer
`dmft_split`	if true will split the onetep dmft interface over cpus with MPI rather than NFS	`True`	boolean
`dmft_splitk`	if true splits the mpi onetep dmft interface in several batches each of them running different K points	`True`	boolean
`dmft_splitk_batch`	number of cpus in each of the batch when splitting k points	`1`	integer
`dmft_splitkdmftall`	if true splits the mpi onetep dmft interface in several batches each of them running different K points	`True`	boolean
`do_keldysh`	keldysh : if true will run the keldysh calculations	`True`	boolean
`do_keldysh_gbigger`	keldysh : if true will also compute G^>	`True`	boolean
`do_not_use_opt_lanczos`	if true will not use the optimized version of the Lanczos algorithm	`True`	boolean
`do_quench`	keldysh : if 1 will do a quench in magnetic field	`0`	integer
`donot_compute_holepart_spm`	if false will compute both hole and particle part of S+S-	`True`	boolean
`double_counting_nf`	if negative	`-1.0`	float
`double_counting_with_no_average`	if true will not use the averaged U value which takes into accoung the hunds coupling rule	`True`	boolean
`double_counting_zero_self`	if true it will impose that the self energy is zero at infinite frequency	`True`	boolean
`double_counting_zero_self_av`	if true remove the orbital averaged Sigma(w=oo)	`True`	boolean
`double_counting_zero_self_from_matsu`	if true the self energy estimated at w=oo for the double counting correction is taken from the matsubara self energy	`True`	boolean
`dpmax`		`0.6`	float
`dpmin`		`0.05`	float
`dump_ground_state`	write the ground state to a file during the Lanczos process	`True`	boolean
`ed_compute_all`	if true will compute all observables within ED	`True`	boolean
`ed_compute_retarded_every_step`	if true will compute the retarded Green function at every dmft step	`True`	boolean
`ed_do_not_keep_previous_fit_param`	if true the previous ED fit will not be used for the next iteration	`True`	boolean
`ed_frequ_max`	max ED real frequ	`10.0`	float
`ed_frequ_min`	min ED real frequ	`-10.0`	float
`ed_no_real_overide`	if true	`True`	boolean
`ed_nsearch`	number of conjugate gradient iterations for fitting the hybridization for ED solver	`200000`	integer
`ed_num_eigenstates_print`	the number of lowest-energy eigenstates of the reduced spectral density to list in the logfile report	`16`	integer
`ed_rdelta`	small i*delta to shift off the real frequency axis	`0.0001`	float
`ed_rdelta_frequ_eta1`	eta1	`0.002`	float
`ed_rdelta_frequ_t`	ramp to move from 0 to eta1	`0.0003`	float
`ed_rdelta_frequ_w0`	frequency at which we have eta1	`0.0006`	float
`ed_real_frequ`	ed number of frequencies	`1000`	integer
`ed_real_frequ_last`	ed number of frequencies for last DMFT iter	`100`	integer
`ed_solver_compute_all_green_functions`	if true it will tell the ED solver to compute all matrix elements of the Green function	`True`	boolean
`ed_star_geom`	if true will use the so-called star geometry for the hybridization for ED solver	`True`	boolean
`edfile`	ED-SOLVER PARAMETERS FILE	`'./ED/ED.in'`	string
`endlambda`	NCA/OCA EndLambda	`200.0`	float
`erase_chem`	if true erases the chemical potential between different DMFT iteration	`True`	boolean
`fast_fit`	use a faster way to obtain the fit through eigenvalue decomposition	`True`	boolean
`first_iter_use_edinput`	start the dmft iterations with the initial bath parameters as a starting bath instead of the Delta(iw) input	`True`	boolean
`fit_all_elements_show_graphs`	if true will show the fit in agr files for all matrix elements	`True`	boolean
`fit_green`	if true ED solver will fit the Weiss Field instead of the hybridization	`True`	boolean
`fit_meth`	FITTING METHODS	`'MINIMIZE'`	string
`fit_nw`	only consider the fit_nw matsubara frequencies for the fit	`650`	integer
`fit_shift`	Bath fit : give the shift of the 1/(w**a+shift) fit	`0.01`	float
`fit_weight_power`	Bath fit : give the exponent of the 1/w**a to weight the frequencies to fit	`0.5`	float
`flag_all_green_func_computed`	will compute the full Green function correlations	`True`	boolean
`flag_blank_out_green_offdiag_for_testing`	if true will blank out the off-diagonal elements of the cluster hybridization	`True`	boolean
`flag_blank_out_sigma_offdiag_for_testing`	if true will blank out the off-diagonal elements of the cluster self energy	`True`	boolean
`flag_build_correl_low_part`	build automatically the lower part of the correl mask	`True`	boolean
`flag_correct_eimp_spin_orbit`	if true will add a correction to the impurity level due to the spin-orbit coupling	`True`	boolean
`flag_donot_keep_all_files`	if true will not keep all the details and every files of the calculations	`True`	boolean
`flag_dump_info_for_gamma_vertex`	if true will dump out the necessary files to compute Gamma (four leg vertex) for later postprocessing	`True`	boolean
`flag_full_ed_green`	if set to true	`True`	boolean
`flag_get_t2c_real`	if true will try to correct the T2C matrix for the rotation with the right phases such that it reduces the imaginary part as much as possible	`True`	boolean
`flag_gup_is_gdn`	take care	`True`	boolean
`flag_idelta_two_scales_ed`	if true the ED solver will use a double energy scale for the idelta frequency dependence	`0`	integer
`flag_introduce_noise_in_minimization`	if yes it will introduce some noise in the minimization between 2 dmft iterations	`True`	boolean
`flag_introduce_only_noise_in_minimization`	if yes it will start from a fresh random guess for the bath minimization at every DMFT iteration	`True`	boolean
`flag_mpi_greens`	compute each green functions on a different CPU	`0`	integer
`flag_ncup`	compute cor hopping green function n_dn C_iup	`True`	boolean
`flag_symmetrize_green`	if true will symmetrize input green function	`True`	boolean
`flag_turn_off_dmft`	if true will not copy the DMFT kernel for the next ONETEP iteration	`True`	boolean
`flag_turn_off_store`	if true does not use the store file system to speed up calculations	`True`	boolean
`flag_use_broadening_two_scales_ed`	if >0 the ED solver will use a broadening factor which assumes two different energy scales	`-1`	integer
`flag_use_jj_basis_for_f`	if true will use the L+S j-j basis for the f orbital	`True`	boolean
`flag_use_slater_in_ed`	if true uses Slater interaction for ED	`True`	boolean
`fmos`	if true will run a mean field solver instead of ED	`True`	boolean
`fmos_fluc`	if true takes also into account the charge fluctuations in the FMOS approximation	`True`	boolean
`fmos_hub1`	if true uses the Hubbard I solver as a fast multi-orbital solver	`True`	boolean
`fmos_hub_iter_mu`	number of iteration to impose a target density in Hubbard I solver	`1`	integer
`fmos_hub_range_mu`	interval to adjust the chemical potential to reach a target density in the Hubbard I solver	`0.001`	float
`fmos_iter`	number of mean field iterations	`1`	integer
`fmos_mix`	mixing for FMOS iterations	`0.3`	float
`fmos_use`	if true use FMOS solver instead of ED	`True`	boolean
`followpeak`	NCA/OCA follow peak	`-1`	integer
`force_no_bcs_pairing`	if true will run the superconducting code	`True`	boolean
`force_no_pairing`	if true kills the pairing	`True`	boolean
`force_nupdn_basis`	Force the use of the nup ndn quantum number	`True`	boolean
`force_pairing_from_mask`	force the use of the pairing defined in the MASK of ed_hybrid instead of relaxing all parameters	`True`	boolean
`force_para_state`	force the paramagnetic symmetry (up/dn spin the same)	`True`	boolean
`force_self_infty_real`	if true it will estimate the self energy at infinite frequency as a real number	`True`	boolean
`force_singlet_state`	force the singlet state in the superconducting calculations	`True`	boolean
`force_sz_basis`	Force the use of the Sz quantum number (mandatory for SC state	`True`	boolean
`freeze_pole_lambda`	between 0 and 1	`1.0`	float
`fully_sc`	If true will use the self energy in the energy functional in the DFT kernel/NGWF optimization	`True`	boolean
`fully_sc_h`	if true will use the one shot Kohn Sham hamiltonian obtained by DMFT in onetep	`True`	boolean
`gen_cpt`	if true	`True`	boolean
`hf_average`	Hirsch Fye average over time slices	`True`	boolean
`hf_hartree`	if true will impose the hartree shift in the self energy obtained by Quantum Monte Carlo	`True`	boolean
`hf_krauth`	Hirsch Fye with Krauth	`True`	boolean
`hide_errors`	this iterface will not show the list of minor errors occuring when for instance the mpi aborts	`True`	boolean
`highest_occupancy`	highest occupancy of the atom	`12`	integer
`hydrogenic_projectors`	if >0 will use hydrogenic projectors with given effective charge instead of atomic orbitals used by the solver	`-1.0`	float
`im_solver`	choice of the solver for matsubara calculations	`4`	integer
`impose_no_cdw`	if true will impose that the self energy in the dimer case is not a charge density wave (symmetrize sigma at the output of ED)	`True`	boolean
`improve_mu_conv`	if true	`True`	boolean
`input_temp_dir`	=local directory to store the atom subdirectories	`'.'`	string
`iter_dmft`	=dmft iteration number	`-1`	integer
`iter_lin`	from 1-iter_lin the mixing is linear	`3`	integer
`iter_restart_sc`	restart from this iter the calculation	`1`	integer
`iwindow`	for track_sectors	`1`	integer
`jhund`	Hunds coupling	`0.0`	float
`just_onetep`	=if true it will only compute the onetep part	`True`	boolean
`keep_both_real_and_matsu_last`	if true keeps both the sigma_output in matsu and real representations	`True`	boolean
`keldysh_n`	keldysh : number of time frames	`5`	integer
`keldysh_ortho`	keldysh : if positive number will re-orthogonalize the Lanczos vector when building the local Kryslov space for the time evolution	`0`	integer
`keldysh_pert_ground_sector`	if true	`True`	boolean
`keldysh_t0`	keldysh : t0	`0.0`	float
`keldysh_tmax`	keldysh : tmax	`10.0`	float
`kernel_cutoff`	cutoff for kernel truncation	`4000.0`	float
`kernelfix_only_first_iter`	if true will use kernel_fix:2 only for first DFT iter	`True`	boolean
`kerneliter`	number of iterations for kernel updates	`4`	integer
`kerneliterinit`	number of iterations for kernel updates	`10`	integer
`ks_shift`	if true adds the correction induced by shift of occupations in the Kernel DFT minimization where the DFT energy is introduced	`True`	boolean
`lambda_sym_fit`	coefficient that contributes to the fitting distance for finding the AIM parameters. Basically	`0.0`	float
`last_iter_is_real`	if true and if solver is ED	`True`	boolean
`lin_nval`	number of eigenvalues for linear inversion of GF	`40`	integer
`lin_scaling`	if true the code will use for the DMFT part (not the kernel) a linear scaling algorithm to invert the GF	`True`	boolean
`lin_window`	window of energy around fermi level for linear scaling inversion	`0.4`	float
`list_sectors`	list of sectors nup	`'list0'`	string
`lowest_occupancy`	lowest occupancy of the atom	`2`	integer
`mach_onetep`	name of the machine file for the GF calculation	`'machines_onetep'`	string
`matsu_solver`	if true does not generate real axis quantities (matsubara solver)	`True`	boolean
`max_steps`	NCA/OCA max numer of internal steps	`30`	integer
`mcs_ctqmc`	number of MonteCarlo steps for CTQMC solver	`20000000`	integer
`min_all_bath_param`	if /= 0 will overtake the ed_hybrid file and minimize all the bath parameters	`8`	integer
`mixing`	DMFT mixing for Self-Energy	`0.5`	float
`mixing_dft_dmft`	mixing of DFT AND DMFT kernel	`0.2`	float
`monitor_gpu_temperature`	if true will prepare a graphic of the GPU temperature during the ONETEP+DMFT run	`True`	boolean
`mpi_onetep_type`	if 1 will run a home made mpi	`1`	integer
`mu_diff`	precision (max deviation) from target density in the DMFT when the chemical potential is obtained by the Newton-Parston algorithm	`0.04`	float
`ncpt_approx`	this is an additional degree of approximation	`0`	integer
`ncpt_flag_two_step_fit`	if true will do the ncpt fit in two steps : first ncpt is turned off	`True`	boolean
`ncpt_two_step`	if true always do the fits in two steps procedures	`True`	boolean
`ncpt_two_step_all_iter`	if true will enforce the two step fit for CPT at every dmft iteration	`True`	boolean
`ncpt_two_step_iter`	if iter_dmft_sc < ncpt_two_step_iter then the CPT ED solver will use a two step procedure to fit the hybridization	`100000`	integer
`neigen`	number of eigenvalues to compute	`1`	integer
`nfrequencies_dmft_dft`	number of frequencies for the DFT+DMFT calculations	`160`	integer
`ngwf_cgiter`	number of iterations for NGWF update after dmft iter	`3`	integer
`niter_dft_dmft_sc`	Number of mixed DFT+DMFT iteration	`5`	integer
`niter_dmft`	Number of DMFT iteration	`5`	integer
`niter_dmft_mu`	number of iterations used to adjust the chemical potential in DFT when preparing the input files for the DMFT	`1`	integer
`niter_kernel_mu`	number of iterations for the Newton method to adapt the chemical potential	`1`	integer
`niter_sc_dft`	Number of iteration at the DFT level	`1`	integer
`niter_sc_dft_first`	number of DFT iterations for the first DFT set	`4`	integer
`niter_sc_dmft`	Number of iteration at the dmft level	`1`	integer
`niter_search_max`	Niter_search_max = max. numb. of function calls in conjugate gradient	`100`	integer
`niter_search_max_0`	if non zero	`0`	integer
`nitergreenmax`	max.numb.of Lanczos iterations in Green s fct. computation	`36`	integer
`nitermax`	max. number of Lanczos iterations	`128`	integer
`nkpoints`	although onetep is Gamma only calculation	`1`	integer
`nmatsu_ctqmc`	number of matsubara frequencies for CTQMC solver	`20`	integer
`nmatsu_ed`	number of matsubara frequencies for ED solver	`4000`	integer
`nmatsu_long`	if 0 does not have any effect	`0`	integer
`no_frequ_split`	if true the onetep dmft interface will not split over frequencies	`True`	boolean
`nohole`	if true will not compute the hole part of the green function	`True`	boolean
`nokernelupdate`	if true will not update the density kernel in the dft part	`True`	boolean
`nomachinefile`	if true removes -machinefile from the mpi syntax	`True`	boolean
`nproc`	=number of processors for dmft	`1`	integer
`nproc_gpu`	number of processor for the projection of the green function part in onetep	`1`	integer
`nproc_mpi_solver`	=number of processors (MPI type) used for DMFT solver	`1`	integer
`nproc_onetep`	=number of processors (MPI type) for onetep	`1`	integer
`nproc_onetep_openmp`	will run mpi for the onetep dmft interface	`1`	integer
`nproc_onetep_openmp_`	will run mpi for the onetep dmft interface	`1`	integer
`nproc_store`	number of cpu used to obtain the store files with onetep	`8`	integer
`nsec`	number of sectors to diagonalize	`-1`	integer
`nsec0`	If list_sectors not provided	`1`	integer
`ntauhf`	imaginary time discretization for HF solver	`50`	integer
`numa`	numa avoids remote memory access in multi-socket architectures	`True`	boolean
`oldgsfile`	OLD GS FILE	`'./ED_out/GS.raw'`	string
`on_fly`	do not store the sparse hamiltonian matrix for the Sz case	`True`	boolean
`onetep_only_up`	=true if onetep produces only up spin	`True`	boolean
`onetep_spin`	spin of the ONETEP calculation (1=pm or 2=af)	`1`	integer
`onlygammakernel`	if true will not estimate the DFT kernel from the k-point average obtained from DMFT	`True`	boolean
`openmp_solver`	Number of open-mp cores running for the dmft-solver	`8`	integer
`pairing_imp_to_bath`	pairing between impurity and bath	`True`	boolean
`paramagnetic`	=1 is paramagnetic	`1`	integer
`print_qc`	if true	`True`	boolean
`protect_projectors`	will make the file run.tightbox_hubbard read only	`True`	boolean
`purify_sc`	if true uses the purifed kernel in the DFT module properties for dft+dmft	`True`	boolean
`qq`	NCA/OCA QQ parameter for seeking out lambda	`8.0`	float
`quench_cancel_statistics`	keldysh : if true will not use the initial statistics from the modified initial hamiltonian	`True`	boolean
`quench_mag`	keldysh : magnetic field along z axis used for the quench	`1.0`	float
`quench_orb`	keldysh : which orbital should be computed for the evolution	`-1`	integer
`quench_u`	keldysh : Coulomb repulsion used for the quench	`10.0`	float
`rankin`	=rank given as an input	`0`	integer
`read_cix_file`	if true will read the cix file instead of generating it	`True`	boolean
`real_axis_only_last_step`	if true the real axis quantities obtained by the ED solver are only obtained for the last two DMFT steps	`True`	boolean
`real_eimp_from_onetep`	condition on the quantities extracted from onetep	`True`	boolean
`real_eimp_from_tail`	condition on the quantities extracted from onetep	`True`	boolean
`real_smat_coef`	if true the S matrix (projected overlap matrix) will be enforced to be real	`True`	boolean
`real_smat_from_onetep`	condition on the quantities extracted from onetep	`True`	boolean
`real_solver`	choice of the solver for real-axis calculations	`2`	integer
`real_sproj_from_onetep`	condition on the quantities extracted from onetep	`True`	boolean
`restart_from_iteration_number`	restart from iteration number given here instead of starting from first iteration	`0`	integer
`restart_from_older_dft`	if true it will run a usual onetep+dmft calculations	`True`	boolean
`rotate_int_after_earlier_transfo`	if true will rotate the CTQMC interaction according to an earlier transformation	`True`	boolean
`rotate_ortho_av_renorm_int`	if true will use averaged renormalization induced by the non orthogonal basis set	`True`	boolean
`rotate_to_ortho_basis`	if true the code will perform a rotation to the orthogonal basis back and forth	`True`	boolean
`rotation_green_function`	if true the code will rotate the Green Function such that it is diagonal	`True`	boolean
`rotation_scheme`	if 1 rotates the green function according to the occupation matrix	`1`	integer
`rotation_scheme_pm`	if true will use the same rotation for spin up and spin dn	`True`	boolean
`rotation_scheme_read_write`	if true and rotation==4	`True`	boolean
`sandwitch_embedding`	if true it will generate both left and right embedding files	`True`	boolean
`save_atoms_at_each_steps`	if true TOSCAM will save the atoms directories at every self consistent iteration	`True`	boolean
`sc_start_from_previous_run`	if true starts from a previous run and reads tightbox and dkn files	`True`	boolean
`scan_full_nup_ndn`	if true	`True`	boolean
`search_step`	small step in search direction	`0.0001`	float
`second_order_correction_to_eimp`	if true includes second order corrections to Eimp	`True`	boolean
`sites_ed`	number of sites in the bath for ED solver	`5`	integer
`size2in`	=size2 given as an input	`0`	integer
`slater_inter_cutoff`	the cutoff under which the Slater terms are not taken into account in the Hamiltonian matrix	`1e-05`	float
`spin_breaking_amp`	amplitude of the initial symmetry breaking for AF state	`0.05`	float
`spin_breaking_iter`	number of iterations where the symmetry breaking is applied on the impurity energy levels	`1`	integer
`spin_orbit`	spin-orbit coupling	`0.0`	float
`split_onetep`	=asynchronous calls to onetep	`True`	boolean
`start_from_an_old_sim`	=if true start from an old calculation	`True`	boolean
`start_from_old_gs`	START FROM OLD GS	`True`	boolean
`start_para`	force starting the first iteration fit from a paramagnetic state	`True`	boolean
`startlambda`	NCA/OCA StartLambda	`-300.0`	float
`store_sig_in_scratch`	if true the sigma_output files will be copied to local scratch when running onetep	`True`	boolean
`sum_over_k_dft`	if true the code is expecting that a summation over k-points was done at the DFT level	`True`	boolean
`tail_linear_scaling`	tail to match the free GF	`-1.0`	float
`tolerance`	Lanczos convergence tolerance	`1e-12`	float
`tough_converge`	if true will use some flags in onetep to help fixing the density kernel	`True`	boolean
`track_sectors`	if true the code is tracking the ground state sector along the DMFT iterations	`True`	boolean
`uniform_sigma`	=true sigma is imposed as spatially uniform	`True`	boolean
`use_custom_command_for_atomd`	if true uses custom command line for atom_d.py instead of the default	`True`	boolean
`use_eimp_from_onetep`	if true will use the analytical formula for eimp obtained from Onetep	`True`	boolean
`use_eimp_from_onetep_with_sigma_cor`	if true	`True`	boolean
`use_input_delta`	if true will use the input hybridization to compute the self energy in the ED solver	`True`	boolean
`use_precomputed_slater_matrix`	if true will use a precomputed Hamiltonian matrix for the Slater interaction	`True`	boolean
`use_previous_dmft_files`	if true the code will use the previous dmft files for the next iteration	`True`	boolean
`use_same_self_energy`	if true always copy the self energy from the 1st iteration back	`True`	boolean
`use_simp_from_onetep`	if true will use the analytical formula for simp obtained from Onetep	`True`	boolean
`use_simp_from_onetep_for_ortho`	uses the Simp matrix obtained by onetep to compute the transformations to non-ortho basis	`True`	boolean
`use_transpose_trick_mpi`	each cpu keeps only a chunk of the lanczos vector in memory	`True`	boolean
`uu`	Coulomb repulsion	`5.0`	float
`verbose_graph`	plot hybridization fit at each step of the minimization	`True`	boolean
`verysilent`	if true the solver will be as silent and interact as little as possible with the local directory and outputs	`True`	boolean
`weight_expo`	exponent power of the fitting difference \|a-b\|^weight_exop	`2.0`	float
`which_lanczos`	NORMAL	`'NORMAL'`	string
`window_hybrid`	window (left) of matsubara frequencies to fit the hybridization	`0`	integer
`window_hybrid2`	window (right) of matsubara frequencies to fit the hybridization	`0`	integer
`window_weight`	ratio weight point inside window over point outside window	`1`	integer