$Device
{

  Region well
  {
    material = GaAs

    doping = 1e15
    doping_type = acceptor
    doping_level = 0.025

  }

  Region  nside
  {
    mat = AlGaAs
    x = 0.3

    doping = 1e18
    doping_type = donor
    doping_level = 0.025
    
   
  }

  Region  pside
  {
    mat = AlGaAs
    x = 0.3

    doping = 1e18
    doping_type = acceptor
    doping_level = 0.025
    
   
  }
   
  

  Region  buffer
  {
    reg_numb = (buffer_classical, buffer_quantum)
    mat = AlGaAs
    x = 0.3

    doping = 1e15
    doping_type = donor
    doping_level = 0.025
   
  }


  Cluster quantum
  {
    mesh_regions = (well, buffer_quantum)
  }

  

}

$Models
{

  model macrostrain
  {

    options
    {          
      simulation_name = str
    }

  
  
    
    BC_Regions  
    {
      BC_Region cathode
      {
	type = substrate
	material = GaAs
      }
    }

  } 


  model  driftdiffusion
  { 

    options
    {          
      simulation_name = dd
    }

    physical_model recombination
    { 
      model = srh
    }                

     

    physical_model electron_mobility
    { 
      model = doping_dependent
    }                


    physical_model hole_mobility
    { 
      model = doping_dependent
    }                


    BC_Regions  
    {

      BC_Region cathode
      {
        type = ohmic
      
      }


      BC_Region anode
      {
	type = ohmic
	voltage = @Vb[0.0]  
      }
 
    }   

  }


 


  model efaschroedinger
  {

    options
    {
      simulation_name = quantum_el
      physical_regions = quantum
    }

  }


  model efaschroedinger
  {

    options
    {
      simulation_name = quantum_hl
      physical_regions = quantum
    }
  
  }
  

  model quantumdensity
  {
  
    options 
    {
      simulation_name = dens_el
      physical_regions = quantum
    }
  }


  model quantumdensity
  {

    options 
    {
      simulation_name = dens_hl
      physical_regions = quantum
    }

  }

  



}


$Solver
{

 macrostrain
  {
    substrate = cathode
  }

 
  driftdiffusion
  {
    #coupling = poisson
    nonlin_step_tol = 1e-9
  }



  quantum_el
  {
    Dirichlet_bc_everywhere = true
    particle = el
    number_of_eigenstates = 22
    poisson_model_name = dd
    strain_model_name = macrostrain
    convergent_density = true
    #log_output = true
    #solve_problem_twice = true
    #solver = lapack
    #k_vector = (0,   0.00985844,    0.0223584)
  }


  quantum_hl
  {
    Dirichlet_bc_everywhere = true
    particle = hl
    number_of_eigenstates = 22
    poisson_model_name = dd
    strain_model_name = macrostrain
    convergent_density = true
    #solver = lapack
    #log_output = true
  }

  Sweep
  {
    sweep_dd
    {
      variable = Vb
      start = 0.0
      stop =  1.8
      steps = 18
    }
  }

  quantumdensity
  {

   

    refine_fraction = 0.20
    relative_accuracy = 0.01
    refine_k_space = true
    output_density_in_k_space = true
    uniform_refinement = false
    mesh_order = FIRST

    initial_eigenstates_number = 20
    analytic = true

  }

  dens_el
  {
    

    quantum_simulation = quantum_el

    degeneracy = 2
    k_space_dimension = 2
    k-space_basis = true
    k1 = (0, 0, 0.1)
    k2 = (0, 0.1, 0)

    number_of_nodes = (4,4)
    wedge = quarter
   
  }

  dens_hl
  {
   

    quantum_simulation = quantum_hl

    degeneracy = 1
    k_space_dimension = 2
    k-space_basis = true
    k1 = (0, 0, 0.1)
    k2 = (0, 0.1, 0)

    number_of_nodes = (4,4)
    wedge = quarter
  }

  Selfconsistent
  {

    EFA_dd        #selfconsistent
    {
      simulations = (dens_el, dens_hl, dd)
      # we do not use relaxation, but a predictor-corrector scheme
      #relaxation_factor = 0.5
      max_iterations = 10
      abs_tolerance = 1e-4
      rel_tolerance = 1e-8
      monitor = true
      #xmonitor = true
    }

  }

}


$Physics
{

  driftdiffusion
  {
    statistics = FD
    strain_simulation = str

    # where to get the quantum densities from
    electron_quantum_density = dens_el
    hole_quantum_density = dens_hl

    # we us a predictor corrector scheme for the selfconsistent loop  (default=false)
    use_density_predictor = true

    # we use an embracing region to get a continuous transition from 
    # classical to quantum density
    embracing_length = 8e-9
    plot_embracing_regions = true
  }

  quantum_el 
  {
    model = conduction_band    
  }


  quantum_hl
  {
    particle = hl
    model = kp   #  k.p  for  valence  band
    kp_model = 6x6
  }
  



}

$Simulation
{
#  searchpath = ../../materials
  meshfile = quantum_well.msh
  mesh_units = 1e-9
  dimension = 1
  temperature = 300
 
  solve = (str, sweep_dd , EFA_dd)
  resultpath = output_test
  output_format = grace
  plot = (strain, polarization, Ec, Ev, QFermi_e, QFermi_h, EField , eDensity, hDensity, CurrentDensity, ContactCurrents, EigenFunctions, EigenEnergy, EnergyLevels, quantum_density, eMob, hMob)
}