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nextnano.MSB

Log file of the simulation (*.log)

  • nextnano.MSB v1.0.1(B9)
    ****************************************************************
    Wednesday, 2014-11-05, 14:22:02.
    ****************************************************************
    Parsing command line
      License: E:\nextnano\nextnano GmbH\nextnano.MSB\nextnano.MSB - Release beta 9 - my\License\License.xml
      Filename: E:\nextnano output\THz_QCL_NovelDesignPeterGreck_1period\THz_QCL_NovelDesignPeterGreck_1period.xml
      Output: E:\nextnano output\THz_QCL_NovelDesignPeterGreck_1period
      Materials: E:\nextnano\nextnano GmbH\nextnano.MSB\nextnano.MSB - Release beta 9 - my\nextnano.MSB\x64\..\Materials.xml
      Materials: E:\nextnano\nextnano GmbH\nextnano.MSB\nextnano.MSB - Release beta 9 - my\nextnano.MSB\Materials_THz_QCL_NovelDesignPeterGreck_no_Varshni.xml
    ****************************************************************
    Checking license "E:\nextnano\nextnano GmbH\nextnano.MSB\nextnano.MSB - Release beta 9 - my\License\License.xml"
      License info
      Name: Stefan Birner
      Email: abc@def.com
      Expiration: Wednesday, 2014-12-31
      Features
        MSB-1Band, OutputAvs, OutputGnuPlt.
    ****************************************************************
    Hardware concurrency: 8 <==
    Returns the number of hardware thread contexts.
    ****************************************************************
    Loading "E:\nextnano GmbH\nextnano.MSB\nextnano.MSB - Release beta 9 - my\nextnano.MSB\Materials_THz_QCL_NovelDesignPeterGreck_no_Varshni.xml"
      Database info
        Materials: 12 [#]
        Names: GaAsAlAs, InAs, InSb, GaSb,
               AlGaAs, AlGaAs_bowing_high, AlGaAs_bowing_low, InGaAs,
               GaAsSb, InAlAs, InAsSb
    ****************************************************************
    Loading "E:\nextnano output\THz_QCL_NovelDesignPeterGreck_1period\THz_QCL_NovelDesignPeterGreck_1period.xml"
      Header info

        ==>
    Here the information written in the input file within <Header> is printed.
           
    <Header>                                       <!-- The Header contains a description of the input file. -->
                   ...
      
         </Header>

      Variables info
        QWDoping = 3e16
        QW_width_1 = 7.35
        Barrier_width_high = 2.1
        BarrierHigh = 0.27
        T = 100,250
    ****************************************************************
    Parameter sweep step 1 of 2
      Variables info
        QWDoping = 3e+016
        QW_width_1 = 7.35
        Barrier_width_high = 2.1
        BarrierHigh = 0.27
        T = 100
      Output info
        Directory: E:\nextnano output\THz_QCL_NovelDesignPeterGreck_1period
      Device info
        Temperature: 100 [K]
        Grid info
          Spacing: 0.5 [nm]
  • The following information is only printed if '-debug 1' is specified as command line argument.
        Layer info
          Width: 4.5 [nm]
          Doping: 3e-005 [nm^-3]
          AdjustBandedge: yes [yes|no]
          Probes: 100 [%]
          Material info
            Base: GaAs
        Layer info
          Width: 2.25 [nm]
          Doping: 0 [nm^-3]
          AdjustBandedge: yes [yes|no]
          Probes: 100 [%]
          Material info
            Base: AlGaAs
            AlloyX: 27 [%]
        Layer info
          Width: 7.25 [nm]
          Doping: 0 [nm^-3]
          AdjustBandedge: yes [yes|no]
          Probes: 100 [%]
          Material info
            Base: GaAs
  •     Lead info
          Name: Source
          Voltage info
            Value: 0 [V]
        Lead info
          Name: Drain
          Voltage info
            Initial: 0 [V]
            Delta: 0.036 [V]
            Steps: 2 [#]
            Cluster: Center
      Initialize Device
  • The following information is only printed if '-debug 1' is specified as command line argument.
     
      Layer
          Width: 4.5 [nm]
          Nodes: 18 => Effective width 4.5nm (Error=0%)
        
    ! Automatic ajustement of layer width and height. Error is related to <AdjustBandedge> feature.
          Material GaAs
            Properties
              Mass: 0.067 [m0]
              Bandedge:
                Offset: -1.519 [eV]
                Gap: 1.519 [eV]
                Alpha: 0 [eV/K]
                Beta: 0 [K]
              EpsStatic: 12.93 [eps_0]
        Layer
          Width: 2.25 [nm]
          Nodes: 9 => Effective width 2.25nm (Error=0%)
        
     ! Automatic adjustment of layer width and height. Error is related to <AdjustBandedge> feature. Here, grid spacing is 0.25 which is optimal.
          Nodes: 5 => Effective width 2.5nm (Error=11.1111%) ! Automatic adjustment of layer width and height. Error is related to <AdjustBandedge> feature. Here, grid spacing is 0.50 which is too coarse to resolve the layer width.
                                                             ! Therefore the Error is larger than 0%.
          Material AlGaAs
            Alloy: 27% of AlAs and 73% of GaAs
            Properties
              Mass: 0.08941 [m0]
              Bandedge:
                Offset: -1.6621 [eV]
                Gap: 1.90092 [eV]
                Alpha: 0 [eV/K]
                Beta: 0 [K]
              EpsStatic: 12.1562 [eps_0]
  • Material AlGaAs_bowing_high
    Alloy: 27% of AlAs and 73% of GaAs
    Properties
    Mass: 0.08941 [m0]
    Bandedge:
    Offset: -1.6621 [eV]
    Gap: 1.90092 [eV]
    Alpha: 0 [eV/K]
    Beta: 0 [K]
    EpsStatic: 12.1562 [eps_0]
    Layer
    Width: 7.25 [nm]
    Nodes: 15 => Effective width 7.5nm (Error=3.44828%)
     
  •     Building parameter grids
          Total nodes: 98 [#]
          Building cluster maps
            Center: 28 -> 65 [#]
            QCL: 28 -> 65 [#]
        Lead "Source"
          Voltage is fixed at 0 V
        Lead "Drain"
          Cluster factor: 2.57895
          Voltage from 0 mV to 92.8421 mV in 2 steps
      Kernel info
        MaxGreenIts: 25
        MaxGreenDelta: 3e-07
        MaxProbeIts: 15
        MaxProbeNorm: 1e-009 [A/cm^2]
        MaxPoissonOuterIts: 25
        MaxPoissonInnerIts: 15
        MaxPoissonDensityNorm: 1e+009 [1/cm^3]
        MaxPoissonCorrectorNorm: 0.0001 [V]
        Core info
          IterativeProbes: 0
          Flatband: 0
          Scattering strength
            Const: 0 [eV]
            BP: 0 [eV]
            MSB: 1 []
        Gain info
          PhotonEnergyInitial: 0.001 [eV]
          PhotonEnergyFinal: 0.03 [eV]
          PhotonEnergySteps: 117 [#]
        Cluster: Center
      Kernel
        Building Hamiltonian
  • Calculating
      Voltage sweep step 1 of 2
        Voltage info
          Source: 0 [V]
          Drain: 0 [V]

        MSB self-consistency cycle
          it= 1, norm2=2.478388e+003 [%]
                 normI=6.779549e+001 [%]
          it= 2, norm2=3.960580e+002 [%]
                 normI=2.362588e+001 [%]
          ...
          it= 5, norm2=7.928989e-001 [%]
                 normI=3.995536e-002 [%]
        Calculating Green's functions
        Poisson iteration 0
          it= 0, norm2=1.836019e+017 [cm^-3]
                 normI=2.943621e+016 [cm^-3]
                 charge=17 [%]
          it= 1, norm2=1.511046e+018 [cm^-3]
                 normI=3.661754e+017 [cm^-3]
                 charge=1024 [%]
                 ...
          it= 7, norm2=1.771342e+007 [cm^-3]
                 normI=4.557251e+006 [cm^-3]
                 charge=100 [%]
          Corrector: norm2=1.661272e-001 [V]
                     normI=1.766968e-002 [V]
        Writing output
          Device
          Density of States
          Transmissions
          Probes
          Carrier Density
          Current Density
        Consistency checks
          DOS: 1.032193e-013 [1/eV/nm]        !
    This DOS value is MAX( ABS(Total_Dos Source_Dos Drain_Dos Probes_Dos)). It must be (numerically) zero.
          Current: 0.000000e+000 [A/cm^2]
          Current: nrm2=1.311401e-011 [A/cm^2]
          Current: nrmi=8.209396e-012 [A/cm^2]
          Current: diff=1.244363e-013 [A/cm^2]

        MSB self-consistency cycle
        
     it= 1, norm2=4.457296e+002 [%]
                 normI=2.933419e+001 [%]
          ...
          it= 4, norm2=1.054857e-001 [%]
                 normI=6.648939e-003 [%]
        Calculating Green's functions
        Poisson iteration 1
          it= 0, norm2=1.920755e+015 [cm^-3]
                 normI=7.899763e+014 [cm^-3]
                 charge=100 [%]
          ...
          it= 2, norm2=2.411963e+005 [cm^-3]
                 normI=1.151118e+005 [cm^-3]
                 charge=100 [%]
          Corrector: norm2=1.587036e-004 [V]
                     normI=3.504813e-005 [V]
        Calculating optical gain
          Setup gain calculation
          Calculate Green's functions
          Calculate gain for photon energies
          Write output
        Writing output
          Device
          Density of States
          Transmissions
          Probes
          Carrier Density
          Current Density
        Consistency checks
          DOS: -4.641658e-007 [1/eV/nm]
          Current: 0.000000e+000 [A/cm^2]
          Current: nrm2=5.709931e-011 [A/cm^2]
          Current: nrmi=3.783379e-011 [A/cm^2]
          Current: diff=1.383798e-012 [A/cm^2]
      Duration of Voltage Step
        Duration in seconds: 16
        Duration in hours, minutes, seconds: 0h, 0', 16''
      Voltage sweep step 2 of 2
        Voltage info
          Source: 0 [V]
          Drain: 0.0928421 [V]
        MSB self-consistency cycle
          ...
          Voltage drop=100 [%]
        Writing output
          Device
          ...
          it= 3, norm2=3.391875e+005 [cm^-3]
                 normI=9.720889e+004 [cm^-3]
                 charge=100 [%]
          Corrector: norm2=6.652502e-003 [V]
                     normI=9.127917e-004 [V]
          Voltage drop=105 [%]
          ...
        Calculating Green's functions
        Probe calculation
        Poisson iteration 2                       ! <==
    related to: <MaxPoissonOuterIts>  Make sure that this number is not exceeded!
          it= 0, norm2=5.254027e+015 [cm^-3]
          ...
          it= 2, norm2=3.598211e+005 [cm^-3]
                 normI=1.012272e+005 [cm^-3]
                 charge=100 [%]
          Corrector: norm2=7.631612e-005 [V]
                     normI=8.710143e-006 [V]
          Voltage drop=100 [%]
        Calculating optical gain
          Setup gain calculation
          Calculate Green's functions
          Calculate gain for photon energies
        Write output
          Writing output
          Device
          Density of States
          Transmissions
          Probes
          Carrier Density
          Current Density
       Consistency checks
          DOS: -7.571542e-007 [1/eV/nm]
          Current: 3.251042e+003 [A/cm^2]
          Current: nrm2=2.033016e-007 [A/cm^2]
          Current: nrmi=4.489969e-008 [A/cm^2]
          Current: diff=4.750423e-008 [A/cm^2]
      Duration of Voltage Step
          Duration in seconds: 31
          Duration in hours, minutes, seconds: 0h, 0', 31''
    Duration of Parameter Sweep Step
      Duration in seconds: 47
      Duration in hours, minutes, seconds: 0h, 0', 47''
    ****************************************************************
    Parameter sweep step 2 of 2
      Variables info
        QWDoping = 3e+016
        ...
        T = 250
     
    Write output
        Writing output
        Device
        Density of States
        Transmissions
        Probes
        Carrier Density
        Current Density
      Consistency checks
        DOS: -1.721273e-006 [1/eV/nm]
        Current: 3.285627e+003 [A/cm^2]
        Current: nrm2=5.173793e-009 [A/cm^2]
        Current: nrmi=1.212275e-009 [A/cm^2]
        Current: diff=1.152515e-009 [A/cm^2]
     
  • Duration of Voltage Step
    Duration in seconds: 34
    Duration in hours, minutes, seconds: 0h, 0', 34''
    Duration of Parameter Sweep Step
    Duration in seconds: 50
    Duration in hours, minutes, seconds: 0h, 0', 50''

    ****************************************************************
    Wednesday, 2014-11-05, 14:23:39.
    ****************************************************************
    Duration of Main Program
    Duration in seconds: 97
    Duration in hours, minutes, seconds: 0h, 1', 37''


     

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