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- n_types, n_mag -- integer
-
- is_orthogonal, is_magnetic, has_pair_repulsion -- logical
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- overlap_zero_limit, force_harrison_signs -- logical
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- has_default_fermi_e, has_default_fermi_T -- logical
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- has_default_band_width, has_default_k_density -- logical
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- label -- character(len=FIELD_LENGTH)
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- cutoff, default_fermi_e, default_fermi_T -- real(dp)
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- default_band_width, default_k_density -- real(dp)
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- type_of_atomic_num -- integer, allocatable, dimension(:)
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- n_orbs -- integer, allocatable, dimension(:)
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- n_elecs -- integer, allocatable, dimension(:)
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- n_orb_sets -- integer, allocatable, dimension(:)
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- orb_set_type -- integer, allocatable, dimension(:,:)
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- atomic_num -- integer, allocatable, dimension(:)
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- atomic_mass -- real(dp), allocatable, dimension(:)
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- r_cut -- real(dp), allocatable, dimension(:,:)
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- screen_l -- real(dp), allocatable, dimension(:,:)
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- pair_rep_inner -- real(dp), allocatable, dimension(:,:)
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- pair_rep_outer -- real(dp), allocatable, dimension(:,:)
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- lambda_sq -- real(dp), allocatable, dimension(:,:)
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- abcd -- real(dp), allocatable, dimension(:,:,:,:,:)
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- H_coeff -- real(dp), allocatable, dimension(:,:,:,:,:)
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- S_coeff -- real(dp), allocatable, dimension(:,:,:,:,:)
-
Initialise interface
Next: Interface Initialise
Up: Type TBModel_NRL_TB
Previous: Type TBModel_NRL_TB
Contents
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gabor
2009-06-30