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