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Elements

n_types, n_mag -- integer

is_orthogonal, is_magnetic, has_pair_repulsion -- logical

overlap_zero_limit, force_harrison_signs -- logical

has_default_fermi_e, has_default_fermi_T -- logical

has_default_band_width, has_default_k_density -- logical

label -- character(len=FIELD_LENGTH)

cutoff, default_fermi_e, default_fermi_T -- real(dp)

default_band_width, default_k_density -- real(dp)

type_of_atomic_num -- integer, allocatable, dimension(:)

n_orbs -- integer, allocatable, dimension(:)

n_elecs -- integer, allocatable, dimension(:)

n_orb_sets -- integer, allocatable, dimension(:)

orb_set_type -- integer, allocatable, dimension(:,:)

atomic_num -- integer, allocatable, dimension(:)

atomic_mass -- real(dp), allocatable, dimension(:)

r_cut -- real(dp), allocatable, dimension(:,:)

screen_l -- real(dp), allocatable, dimension(:,:)

pair_rep_inner -- real(dp), allocatable, dimension(:,:)

pair_rep_outer -- real(dp), allocatable, dimension(:,:)

lambda_sq -- real(dp), allocatable, dimension(:,:)

abcd -- real(dp), allocatable, dimension(:,:,:,:,:)

H_coeff -- real(dp), allocatable, dimension(:,:,:,:,:)

S_coeff -- real(dp), allocatable, dimension(:,:,:,:,:)

Initialise interface
next up previous contents index
Next: Interface Initialise Up: Type TBModel_NRL_TB Previous: Type TBModel_NRL_TB   Contents   Index
gabor 2009-06-30