Log file

Log file of the simulation (*.log)

nextnano.MSB v1.0.1(B9)
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Wednesday, 2014-11-05, 14:22:02.
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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
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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.
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Hardware concurrency: 8 <== Returns the number of hardware thread contexts.
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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>
    ...
</Header>

Information on variables and sweeps, such as temperatue sweep T = 100,250.

Variables info
    QWDoping = 3e16
    QW_width_1 = 7.35
    Barrier_width_high = 2.1
    BarrierHigh = 0.27
    T = 100,250
****************************************************************

Information on parameter sweep, such as temperature T = 100.

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 on the layers 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

Information on the Source and Drain leads.

    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%)
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]

Automatic adjustment of layer width and height.

Nodes: 9 => Effective width 2.25nm (Error=0%)

Error is related to <AdjustBandedge> feature. Here, grid spacing is 0.25 [nm] which is optimal. Therefore the Error is 0%.

Nodes: 5 => Effective width 2.5nm (Error=11.1111%)

Here, grid spacing is 0.50 [nm] 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]

The following information is only printed if -debug 1 is specified as command line argument.

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%)

Log file continues…

    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 starts and MSB self-consistency cycle.

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(DOS_total DOS_Source DOS_Drain DOS_Probes) ). 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

Second Poisson iteration starts. It is related to <MaxPoissonOuterIts>. Make sure that this number is not exceeded!

    Poisson iteration 2
    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 for T = 250 [K].

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]

Information on simulation time for Voltage Step, Parameter Sweep Step and Main Program.

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''

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