WMIXING=5.000000000E-01 !Mixing bath parameter NORB=1 !Number of impurity orbitals (max 5). NBATH=6 !Number of bath sites:(normal=>Nbath per orb)(hybrid=>Nbath total)(replica/general=>Nbath=Nreplica/Ngeneral) NSPIN=1 !Number of spin degeneracy (max 2) NPH=0 !Max number of phonons allowed (cut off) BATH_TYPE=normal !flag to set bath type: normal (1bath/imp), hybrid(1bath), replica(1replica/imp), general(replica++) ULOC=-2.000000000,0.d0,0.d0,0.d0,0.d0 !Values of the local interaction per orbital (max 5) UST=0.d0 !Value of the inter-orbital interaction term JH=0.d0 !Hunds coupling JX=0.d0 !S-E coupling JP=0.d0 !P-H coupling NLOOP=100 !Max number of DMFT iterations. NSUCCESS=1 !Number of successive iterations below threshold for convergence DMFT_ERROR=1.000000000E-04 !Error threshold for DMFT convergence SB_FIELD=1.000000000E-01 !Value of a symmetry breaking field for magnetic solutions. DELTASC=2.000000000E-01 !Value of the SC symmetry breaking term. BETA=1000.000000000 !Inverse temperature, at T=0 is used as a IR cut-off. XMU=0.d0 !Chemical potential. If HFMODE=T, xmu=0 indicates half-filling condition. G_PH=0.d0 !Electron-phonon coupling density constant W0_PH=0.d0 !Phonon frequency A_PH=0.d0 !Forcing field coupled to phonon's displacement operator GPHFILE=NONE !File of Phonon couplings. Put NONE to use only density couplings. SPIN_FIELD_X=0.d0 !magnetic field per orbital coupling to X-spin component SPIN_FIELD_Y=0.d0 !magnetic field per orbital coupling to Y-spin component SPIN_FIELD_Z=0.d0 !magnetic field per orbital coupling to Z-spin component EXC_FIELD=0.d0,0.d0,0.d0,0.d0 !external field coupling to exciton order parameters PAIR_FIELD=0.d0 !pair field per orbital coupling to s-wave order parameter component ED_MODE=superc !Flag to set ED type: normal=normal, superc=superconductive, nonsu2=broken SU(2) ED_DIAG_TYPE=lanc !flag to select the diagonalization type: 'lanc' for Lanczos/Davidson, 'full' for Full diagonalization method ED_FINITE_TEMP=F !flag to select finite temperature method. note that if T then lanc_nstates_total must be > 1 ED_SECTORS=F !flag to reduce sector scan for the spectrum to specific sectors +/- ed_sectors_shift. ED_SECTORS_SHIFT=1 !shift to ed_sectors ED_SPARSE_H=T !flag to select storage of sparse matrix H (mem--, cpu++) if TRUE, or direct on-the-fly H*v product (mem++, cpu--) if FALSE ED_TOTAL_UD=T !flag to select which type of quantum numbers have to be considered: T (default) total Nup-Ndw, F orbital based Nup-Ndw ED_TWIN=F !flag to reduce (T) or not (F,default) the number of visited sector using twin symmetry. ED_SOLVE_OFFDIAG_GF=F !flag to select the calculation of the off-diagonal impurity GF. this is T by default if bath_type/=normal ED_PRINT_SIGMA=T !flag to print impurity Self-energies ED_PRINT_G=T !flag to print impurity Greens function ED_PRINT_G0=T !flag to print non-interacting impurity Greens function ED_ALL_G=T !flag to evaluate all the components of the impurity Green`s functions irrespective of the symmetries ED_VERBOSE=3 !Verbosity level: 0=almost nothing --> 5:all. Really: all ED_HW_BATH=2.000000000 !half-bandwidth for the bath initialization: flat in -ed_hw_bath:ed_hw_bath ED_OFFSET_BATH=1.000000000E-01 !offset for the initialization of diagonal terms in replica/general bath: -offset:offset LMATS=4096 !Number of Matsubara frequencies. LREAL=5000 !Number of real-axis frequencies. LTAU=1024 !Number of imaginary time points. LFIT=1000 !Number of Matsubara frequencies used in the \Chi2 fit. LPOS=100 !Number of points for the lattice PDF. NREAD=0.d0 !Objective density for fixed density calculations. NERR=1.000000000E-04 !Error threshold for fixed density calculations. NDELTA=1.000000000E-01 !Initial step for fixed density calculations. NCOEFF=1.000000000 !multiplier for the initial ndelta read from a file (ndelta-->ndelta*ncoeff). WINI=-10.000000000 !Smallest real-axis frequency WFIN=10.000000000 !Largest real-axis frequency XMIN=-3.000000000 !Smallest position for the lattice PDF XMAX=3.000000000 !Largest position for the lattice PDF CHISPIN_FLAG=F !Flag to activate spin susceptibility calculation. CHIDENS_FLAG=F !Flag to activate density susceptibility calculation. CHIPAIR_FLAG=F !Flag to activate pair susceptibility calculation. CHIEXCT_FLAG=F !Flag to activate excitonis susceptibility calculation. HFMODE=T !Flag to set the Hartree form of the interaction (n-1/2). see xmu. EPS=1.000000000E-02 !Broadening on the real-axis. CUTOFF=1.000000000E-09 !Spectrum cut-off, used to determine the number states to be retained. GS_THRESHOLD=1.000000000E-09 !Energy threshold for ground state degeneracy loop up LANC_METHOD=arpack !select the lanczos method to be used in the determination of the spectrum. ARPACK (default), LANCZOS (T=0 only), DVDSON (no MPI) LANC_NSTATES_SECTOR=2 !Initial number of states per sector to be determined. LANC_NSTATES_TOTAL=1 !Initial number of total states to be determined. LANC_NSTATES_STEP=2 !Number of states added to the spectrum at each step. LANC_NCV_FACTOR=10 !Set the size of the block used in Lanczos-Arpack by multiplying the required Neigen (Ncv=lanc_ncv_factor*Neigen+lanc_ncv_add) LANC_NCV_ADD=1 !Adds up to the size of the block to prevent it to become too small (Ncv=lanc_ncv_factor*Neigen+lanc_ncv_add) LANC_NITER=1024 !Number of Lanczos iteration in spectrum determination. LANC_NGFITER=300 !Number of Lanczos iteration in GF determination. Number of momenta. LANC_TOLERANCE=1.000000000E-12 !Tolerance for the Lanczos iterations as used in Arpack and plain lanczos. LANC_DIM_THRESHOLD=1024 !Min dimension threshold to use Lanczos determination of the spectrum rather than Lapack based exact diagonalization. CG_METHOD=0 !Conjugate-Gradient method: 0=NumericalRecipes, 1=minimize. CG_GRAD=1 !Gradient evaluation method: 0=analytic (default), 1=numeric. CG_FTOL=1.000000000E-05 !Conjugate-Gradient tolerance. CG_STOP=0 !Conjugate-Gradient stopping condition: 0-2, 0=C1.AND.C2, 1=C1, 2=C2 with C1=|F_n-1 -F_n|