update an example in BHZ-model to calculate AHE with zeeman term

examples/BHZ-model/wt.in

@@ -5,38 +5,17 @@ Hrfile = "BHZ_hr.dat"
 
 !> bulk band structure calculation flag
 &CONTROL
-AHC_calc              = F
-BulkBand_calc         = F
-BulkBand_plane_calc   = F
-FindNodes_calc        = F
-BulkFS_calc           = F
-BulkGap_cube_calc     = F
-BulkGap_plane_calc    = F
-SlabBand_calc         = F
-WireBand_calc         = F
-SlabSS_calc           = F
-SlabArc_calc          = F
-SlabSpintexture_calc  = F
-Wanniercenter_calc    = F
-Z2_3D_calc         = F
-LandauLevel_B_calc = F
-LandauLevel_B_dos_calc = T
-LandauLevel_k_calc = F
-LandauLevel_wavefunction_calc = F
-landau_chern_calc = F
-BerryPhase_calc       = F
-BerryCurvature_calc   = F
+AHC_calc              = T
+BulkBand_calc         = T
 /
 
 &SYSTEM
-NSLAB =120 
-NSLAB1= 4  
-NSLAB2= 4  
-NumOccupied = 2         ! NumOccupied
 SOC = 1                 ! soc
 E_FERMI = 0        ! e-fermi
-Bx= 0, By= 0, Bz= 0     ! Bx By Bz
+Bx= 0, By= 0, Bz= 1     ! Bx By Bz
 surf_onsite= 0.0        ! surf_onsite
+Add_Zeeman_Field = T
+Zeeman_energy_in_eV = 0.5 ! in eV
 /
 
 &PARAMETERS
@@ -48,11 +27,6 @@ OmegaMax =  8.0     ! energy interval
 Nk1 = 60            ! number k points 
 Nk2 = 60            ! number k points 
 Nk3 = 1             ! number k points 
-NP = 2              ! number of principle layers
-Magp=120 
-NumLCZVecs = 1000
-NumRandomConfs=20
-Gap_threshold = 1.0 ! threshold for GapCube output
 /
 
 LATTICE
@@ -80,24 +54,6 @@ KPATH_BULK            ! k point path
 2              ! number of k line only for bulk band
   X   0.50000  0.00000  0.00000   G  0.00000   0.00000  0.00000
   G   0.00000  0.00000  0.00000   Y  0.00000   0.50000  0.50000
-1              ! number of k line only for bulk band
-  G   0.00000  0.00000  0.00000   X 0 1.0 0
-
-KPATH_SLAB
-2        ! numker of k line for 2D case
-X 0. -0.5 G 0.0 0.0  ! k path for 2D case
-G 0.0 0.0 Y 0.0 0.5
-Y 0.0 0.50 M 0.5 0.5  ! k path for 2D case
-
-KPLANE_SLAB
--0.1 -0.1      ! Original point for 2D k plane
- 0.2  0.0      ! The first vector to define 2D k plane 
- 0.0  0.2      ! The second vector to define 2D k plane  for arc plots
-
-KPLANE_BULK
- 0.00  0.00  0.00   ! Original point for 3D k plane 
- 1.00  0.00  0.00   ! The first vector to define 3d k space plane
- 0.00  1.00  0.00   ! The second vector to define 3d k space plane
 
 
 KCUBE_BULK
@@ -106,18 +62,3 @@ KCUBE_BULK
  0.00  1.00  0.00   ! The second vector to define 3d k space plane
  0.00  0.00  1.00   ! The third vector to define 3d k cube
 
-
-SINGLEKPOINT_3D
-Direct
-0.0        0.0  0.0   
-
-SELECTEDORBITALS
-1
-1
-
-
-EFFECTIVE_MASS      ! optional
-2                   ! The i'th band to be calculated
-0.01                ! k step in unit of (1/Angstrom)
-0.0 0.0 0.0         ! k point where the effective mass calculated.
-

examples/BHZ-model/wt.in-ahe-withzeeman

@@ -0,0 +1,64 @@
+&TB_FILE
+Hrfile = "BHZ_hr.dat"
+/
+
+
+!> bulk band structure calculation flag
+&CONTROL
+AHC_calc              = T
+BulkBand_calc         = T
+/
+
+&SYSTEM
+SOC = 1                 ! soc
+E_FERMI = 0        ! e-fermi
+Bx= 0, By= 0, Bz= 1     ! Bx By Bz
+surf_onsite= 0.0        ! surf_onsite
+Add_Zeeman_Field = T
+Zeeman_energy_in_eV = 0.5 ! in eV
+/
+
+&PARAMETERS
+Eta_Arc = 0.001     ! infinite small value, like brodening 
+E_arc = 0.0         ! energy for calculate Fermi Arc
+OmegaNum = 400  ! omega number       
+OmegaMin = -8.0     ! energy interval
+OmegaMax =  8.0     ! energy interval
+Nk1 = 60            ! number k points 
+Nk2 = 60            ! number k points 
+Nk3 = 1             ! number k points 
+/
+
+LATTICE
+Angstrom
+1 0 0 
+0 1 0
+0 0 1
+
+ATOM_POSITIONS
+1                               ! number of atoms for projectors
+Direct                          ! Direct or Cartisen coordinate
+C 0 0 0
+
+PROJECTORS
+2            ! number of projectors
+C s pz
+
+
+SURFACE            ! See doc for details
+ 0  0  1
+ 1  0  0
+ 0  1  0
+
+KPATH_BULK            ! k point path
+2              ! number of k line only for bulk band
+  X   0.50000  0.00000  0.00000   G  0.00000   0.00000  0.00000
+  G   0.00000  0.00000  0.00000   Y  0.00000   0.50000  0.50000
+
+
+KCUBE_BULK
+-0.50 -0.50 -0.50   ! Original point for 3D k plane 
+ 1.00  0.00  0.00   ! The first vector to define 3d k space plane
+ 0.00  1.00  0.00   ! The second vector to define 3d k space plane
+ 0.00  0.00  1.00   ! The third vector to define 3d k cube
+

examples/Haldane_model/wt.in-ahe

@@ -0,0 +1,55 @@
+&TB_FILE
+Hrfile = "Haldane_hr.dat"
+/
+
+
+!> bulk band structure calculation flag
+&CONTROL
+BulkBand_calc = T  ! calculate band structure in kpath mode
+AHC_calc  = T
+/
+
+&SYSTEM
+SOC = 0                 ! soc
+E_FERMI = 0        ! e-fermi
+/
+
+&PARAMETERS
+Fermi_broadening = 0.01     ! infinite small value, like brodening 
+OmegaNum = 1000  ! omega number       
+OmegaMin = -5.0     ! energy interval
+OmegaMax =  5.0     ! energy interval
+Nk1 = 60            ! number k points 
+Nk2 = 60            ! number k points 
+Nk3 = 1             ! number k points 
+/
+
+LATTICE
+Angstrom
+2.1377110  -1.2342080   0.0000000
+0.0000000   2.4684160   0.0000000
+0.0000000   0.0000000   10.000000
+
+ATOM_POSITIONS
+2                               ! number of atoms for projectors
+Direct                          ! Direct or Cartisen coordinate
+C 0.333333 0.666667 0.500000 
+C 0.666667 0.333333 0.500000 
+
+PROJECTORS
+1 1          ! number of projectors
+C pz
+C pz
+
+
+KPATH_BULK            ! k point path
+3              ! number of k line only for bulk band
+  M   0.50000  0.00000  0.00000   K' -.33333   -.33333  0.00000
+  K'  -.33333  -.33333  0.00000   G  0.00000   0.00000  0.00000
+  G   0.00000  0.00000  0.00000   K  0.33333   0.33333  0.00000
+
+KCUBE_BULK
+0 0 0 
+1 0 0
+0 1 0
+0 0 1