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QuantumATK => General Questions and Answers => Topic started by: Kim_W on October 16, 2018, 10:37

Title: How to get SCF configuration files by using the IVCharacteristics study object?
Post by: Kim_W on October 16, 2018, 10:37

Dear all,
    How to get SCF configuration files by using the IVCharacteristics study object?

Title: Re: How to get SCF configuration files by using the IVCharacteristics study object?
Post by: Ulrik G. Vej-Hansen on October 16, 2018, 12:44

You can use the .configuration(gate_source_voltage, drain_source_voltage) method.

See more on the manual page: https://docs.quantumwise.com/manual/Types/IVCharacteristics/IVCharacteristics.html

Title: Re: How to get SCF configuration files by using the IVCharacteristics study object?
Post by: Kim_W on October 22, 2018, 11:01

I mean that when I finished the IVCharacteristics study object with different gate source voltages and drain source voltages. How to get the SCF configuration files like below setting? In addition, I find that I cannot export the data (.txt) of PLDOS when I use the addAnalysis method.

Title: Re: How to get SCF configuration files by using the IVCharacteristics study object?
Post by: Ulrik G. Vej-Hansen on October 22, 2018, 16:03

Yes, they are automatically saved in the IVCharacteristics Study object. Your screenshot is for the older IV Curve Analysis object that is now obsolete.

The PLDOS analysis should be saved to the same .hdf5 file as an object, no data is exported by the study object. Do you have trouble exporting the data afterwards? If yes, please describe exactly what you do.

Title: Re: How to get SCF configuration files by using the IVCharacteristics study object?
Post by: Kim_W on October 23, 2018, 04:31

I calculated a FET with gate_source_voltages=numpy.linspace(-1, 0.5, 31)*Volt, drain_source_voltages=0.5*Volt. When I finished my caculations, I want to get the PLDOS results and corresponding spectral current at gate =[-0.6, -0.2, 0.2]*Volt. I used the addAnalysis method and I can read PLDOS results from IV-Characteristics Analyzer, but I can not export txt data of PLDOS. In addition, the spectral current information is also missing. I know that we can get the spectral current picture in the left plate when we calculate the PLDOS . So I decide to calculate PLDOS by using adjust configuration method, but it is  very time consuming and the results often unconvergence. So I want to get the SCF configuration files when I calculate IV with  the IVCharacteristics Study object. Or is there a better way? Thank you!

Title: Re: How to get SCF configuration files by using the IVCharacteristics study object?
Post by: Kim_W on October 28, 2018, 10:09

Can anyone help me with this? Thank you very much!

Title: Re: How to get SCF configuration files by using the IVCharacteristics study object?
Post by: Ulrik G. Vej-Hansen on October 29, 2018, 11:41

Sorry about the delay, I wanted to reproduce your workflow to make sure I understood your question.

So to clarify: Your issue is that when you have calculated the PLDOS via the IVCharacteristics study object, you can view it, but you cannot export it and the transmission spectrum is not added to the figure?

If that is the case, you should be able to get the data in txt format by something like this:

ivc = nlread(filename, IVCharacteristics)[0]
pldos = ivc.results(0.0*Volt, 0.0*Volt, result_types=[ProjectedLocalDensityOfStates])[0]
pldos.nlprint()

See the respective manual pages for more details.