Author Topic: transmission spectrum stuck  (Read 2832 times)

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Offline tara

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transmission spectrum stuck
« on: January 28, 2015, 09:12 »

I tried calculating transmission spectrum for a all silicon gated p-i-n device.Slater koster calculations for the device  got converged . I have  used  Neumann boundary conditions along the direction where the gate is defined and periodic boundary conditions along the thickness of the device(x-direction).I have used  Bassani.Si_Basis set. Transmission spectrum parameters are below

# -------------------------------------------------------------
# Transmission spectrum
# -------------------------------------------------------------
transmission_spectrum = TransmissionSpectrum(
    configuration=device_configuration,
    energies=numpy.linspace(-2,2,101)*eV,
    kpoints=MonkhorstPackGrid(3,3),
    energy_zero_parameter=AverageFermiLevel,
    infinitesimal=1e-06*eV,
    self_energy_calculator=KrylovSelfEnergy(),
    )


calculations get stuck in transmission spectrum on moving to next line(line after "calculating transmission spectrum") and no sign of any further progress is seen even after a very long time.Could you help me  rectify the reason for this .

+------------------------------------------------------------------------------+
|                                                                              |
| Transmission Spectrum Analysis                                               |
|                                                                              |
+------------------------------------------------------------------------------+

                            |--------------------------------------------------|
Calculating Transmission   : ==================================================


Offline tara

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Re: transmission spectrum stuck
« Reply #1 on: January 29, 2015, 10:14 »
i have rectified the problem for the above and is now solved:)

Offline Umberto Martinez

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Re: transmission spectrum stuck
« Reply #2 on: January 29, 2015, 10:28 »
great! it is useful for all the users if you also post the solution of your problem here :)

Offline tara

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Re: transmission spectrum stuck
« Reply #3 on: February 1, 2015, 06:43 »
I had changed my basis set to Bassani.Si_Basis (more accurate) which took much more time (4hrs) and memory (self enegies saved ), compared to Vogl.Si_Basis basis set (30-40 min).

After approx 4hrs  it finally gave transmission spectrum results :)