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Module `TB_module` in file TB.f95

Subsections

Purpose
Usage
Uses
Type TB_type
- Elements
Interface Initialise
Interface Finalise
Interface cutoff
Interface Wipe
Interface Print
Interface Setup_atoms
Interface solve_diag
Interface calc
Interface calc_diag
Interface calc_GF
Interface find_fermi_E
Interface calc_E_fillings
Interface calc_F_fillings
Interface realloc_match_tbsys
Subroutine TB_Initialise_filename
Subroutine copy_atoms_fields
Subroutine calc_local_atomic_energy_GF
Subroutine calc_local_atomic_num_GF
Subroutine calc_local_atomic_energy
Subroutine calc_local_atomic_num
Subroutine calc_local_orbital_num
Subroutine calc_local_orbital_mom
Subroutine calc_dn_dr_mat
Subroutine calc_dgN_dr_vec
Subroutine calc_dm_from_evecs
Subroutine calc_fermi_factors
Subroutine calc_fermi_derivs
Subroutine calc_mod_fermi_factors
Subroutine absorption
Subroutine dipole_matrix
Function calculate_forces_diag
Function calculate_virial_diag
Function calculate_forces_GF
Function scf_f_correction_GF
Function TB_evals

gabor 2009-06-30