Next: Interface Initialise
Up: Type TBModel_DFTB
Previous: Type TBModel_DFTB
Contents
Index
- n_types -- integer
-
- label -- character(len=FIELD_LENGTH)
-
- cutoff, default_fermi_E, default_fermi_T -- real(dp)
-
- default_band_width, default_k_density -- real(dp)
-
- is_orthogonal, has_default_fermi_E -- logical
-
- has_default_fermi_T, has_default_band_width -- logical
-
- has_default_k_density -- logical
-
- 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(:)
-
- E -- real(dp), allocatable, dimension(:,:)
-
- SK_cutoff -- real(dp), allocatable, dimension(:,:)
-
- Vrep_cutoff -- real(dp), allocatable, dimension(:,:)
-
- H_spline -- type(spline), allocatable, dimension(:,:,:)
-
- S_spline -- type(spline), allocatable, dimension(:,:,:)
-
- Vrep_spline -- type(spline), allocatable, dimension(:,:)
-
Initialise interface
gabor
2009-06-30