$Device
{

  Region well
  {
#    mesh_regions = 1
    material = GaN
    
    structure = wz
    y-growth-direction = (1,0,-1,0)
    z-growth-direction = (-1,2,-1,0)
    x-growth-direction = (0,0,0,1)
  
    doping = 1e18
    doping_type = acceptor
    doping_level = 0.025

  }

  Region  buffer1
  {
#    mesh_regions  = 2
    material = AlGaN
    x = 0.3


    structure = wz
    y-growth-direction = (1,0,-1,0)
    z-growth-direction = (-1,2,-1,0)
    x-growth-direction = (0,0,0,1)
   
    doping = 5e16
    doping_type = acceptor
    doping_level = 0.025
    
   
  }
  
  

  Region  buffer2
  {
#    mesh_regions = 3
    material = AlGaN
    x = 0.3
    structure = wz
    y-growth-direction = (1,0,-1,0)
    z-growth-direction = (-1,2,-1,0)
    x-growth-direction = (0,0,0,1)

    doping = 5e16
    doping_type = acceptor
    doping_level = 0.025
    
   
  }


  

}

$Models
{
  model macrostrain
  {
    options
    {          
      simulation_name = str

      physical_regions = all
    }
   
    BC_Regions  
    {
      BC_Region substrate  #ALGANsubstrate
      {
#	BC_reg_numb = 1
	type = substrate
	material = AlGaN
	x = 0.3
	structure = wz
	y-growth-direction = (1,0,-1,0)
	z-growth-direction = (-1,2,-1,0)
	x-growth-direction = (0,0,0,1)

	
      }
    }

  } 


  model  driftdiffusion
  { 
    options
    {          
      simulation_name = dd
      
      physical_regions = all
    }
  }


 


  model efaschroedinger

  {

   
    options
    {
     simulation_name = quantum_el
     physical_regions = all
    }


  }


  model efaschroedinger

  {

   
    options
    {
     simulation_name = quantum_hl
     physical_regions = all
    }

  
  }
  

  model quantumdispersion
  {
    options
    {
      simulation_name = dispersion1D_el
      physical_regions = all
    }
    
  }


  model quantumdispersion
  {
    options
    {
      simulation_name = dispersion1D_hl
      physical_regions = all
    }
    
  }



  model quantumdispersion
  {
    options
    {
      simulation_name = dispersion2D_el
      physical_regions = all
    }
    
  }


  model quantumdispersion
  {
    options
    {
      simulation_name = dispersion2D_hl
      physical_regions = all
    }
    
  }


  



}

$Solver
{

 macrostrain
  {
    substrate = substrate # ALGANsubstrate

  }

 
  driftdiffusion
  {
    coupling = poisson
    nonlin_max_it = 70
    nonlin_rel_tol = 1e-10
    nonlin_abs_tol = 1e-10
    nonlin_step_tol = 1e-9
    ls_max_step = 4
    
    discretization = fem
    integration_order = 2
    ksp_type = bcgs
   
  }



  quantum_el
  {   
    Dirichlet_bc_everywhere = true
    particle = el
    number_of_eigenstates = 10
    poisson_model_name = dd
    strain_model_name = macrostrain
 
    solution_method = general
    solver = krylovshur 
    

  }

  quantum_hl
  {
   
    Dirichlet_bc_everywhere = true
    particle = hl
    number_of_eigenstates = 15
    poisson_model_name = dd
    strain_model_name = macrostrain

    solver = krylovshur
    solution_method = general
    
  }


 






  dispersion1D_el
  {
    quantum_simulation = quantum_el
    wedge = half
    k_space_dimension = 1
    k1 = (0, 0.1, 0)
    number_of_nodes = (10)
    min_eigenvalue_number = 0
    max_eigenvalue_number = 1
  }


  dispersion1D_hl
  {
    quantum_simulation = quantum_hl
    wedge = half
    k_space_dimension = 1
    k1 = (0, 0.1, 0)
    number_of_nodes = (10)
    min_eigenvalue_number = 0
    max_eigenvalue_number = 1
  }


   dispersion2D_el
  {
    quantum_simulation = quantum_el
    wedge = quarter
    k_space_dimension = 2
    k1 = (0,  0.1, 0)
    k2 = (0,  0, 0.1)
    number_of_nodes = (8,8)
    min_eigenvalue_number = 0
    max_eigenvalue_number = 1
  }


  dispersion2D_hl
  {
    quantum_simulation = quantum_hl
    wedge = quarter
    k_space_dimension = 2
    k1 = (0, 0.1, 0)
    k2 = (0,  0, 0.1)
    number_of_nodes = (8,8)
    min_eigenvalue_number = 0
    max_eigenvalue_number = 3
    output_format = gmv
  }




}


$Physics
{
  driftdiffusion
  {

    strain_simulation = str
  }

 
  quantum_el 
  {
  
    particle = el
    model = kp  
    kp_model = 8x8
  }


  quantum_hl
  {
    particle = hl
    model = kp  
    kp_model = 8x8
  }
  
 
}

$Simulation
{  
  searchpath =    ../../materials 
  meshfile = quantum_well.msh
  mesh_units = 1e-9
 
  dimension = 1
  temperature = 300
  solve = (str, dd, quantum_el, quantum_hl,  dispersion1D_el, dispersion1D_hl, dispersion2D_el, dispersion2D_hl )   
  resultpath = output_new
  output_format = grace
  plot = (strain, polarization, Ec, Ev, EField , EigenEnergy, EnergyLevels, EigenFunctions, k-space_dispersion)
}