Documentation

MagInteract

• MagInteract
  • MagInteract
    • MagInteract.Retrieve_StBas()
    • MagInteract.__init__()
    • MagInteract.calc_MagInt()
    • MagInteract.inter_site_GF()
    • MagInteract.reorder_V()
    • MagInteract.rot_stbas()
    • MagInteract.trans_V()

HubbardI_interact

• Hubbard Interact
  • HubbardI_interact
    • HubbardI_interact.__init__()
    • HubbardI_interact.calc_Sig_lev()
    • HubbardI_interact.run_HI()
    • HubbardI_interact.set_ud_levels()

HubbardI_solver

• HubbardI Solver
  • Solver
    • Solver.GF_realomega()
    • Solver.__init__()
    • Solver.set_atomic_levels()
    • Solver.solve()

Multipolar

• Multipolar
  • Mult_interact()
  • Multipolar
    • Multipolar.__init__()
    • Multipolar.convert_to_mcphase_inp()
    • Multipolar.upfold()
  • Wigner3j()
  • store_results_in_h5()

Shells

• Shells
  • shells
    • shells.__init__()
    • shells.calc_d_origin()
    • shells.find_nn()

Read_kp_sym

• Read K-points Symmetries
  • read_kp_sym
    • read_kp_sym.__init__()

Parser

• Parser
  • Wien2kStruct
    • Wien2kStruct.__init__()
    • Wien2kStruct.calc_a_brav()
    • Wien2kStruct.frac_to_carth()
    • Wien2kStruct.parse_struct_file()

Read Input

• Read Input

run_dos

• Run DOS
  • run_dos()

run_shift_mu

• Run Shift Chemical Potential
  • run_shift_mu()

run_shell

• Run Shell
  • run_shell()

run_magint

• Run MagInt
  • run_magint()

Utils

• Utils
  • Kanamori_hamiltonian()
  • compare_dicts()
  • compare_lists_arrays()
  • cub_eal()
  • gener_L_mat()
  • gener_M_mat()
  • gener_S_mat()
  • my_get_vec()
  • print_arr()
  • print_mat()
  • read_eal()
  • read_mat()