Author Topic: optical spectrum  (Read 66 times)

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Offline Roc2019

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optical spectrum
« on: July 31, 2020, 16:30 »
Dear Sir,

I performed a spin calculation for the optical spectrum. But it seems that the VNL only shows the sum results.  So, how to obtain the spin up and down results sucs as the "absorption" and "opticalConductivity". 

Thanks

Offline Tue Gunst

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Re: optical spectrum
« Reply #1 on: August 3, 2020, 10:00 »
Hi,
While it is not an option in the gui, the query functions do have a spin-input variable.
For instance you can call "absorption_up = optical_spectrum.absorption(spin=Spin.Up)".
Please refer to the reference manual entry for OpticalSpectrum for other query function examples.

Offline Roc2019

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Re: optical spectrum
« Reply #2 on: August 4, 2020, 12:00 »
Thank you Dr. Gunst ;)

Offline Roc2019

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Re: optical spectrum
« Reply #3 on: Yesterday at 10:44 »
Dear Sir,

As printing the absorption and optical conductivity,  their units are  eV*s/hbar/m,  eV*F/hbar/m, respectivly.   They are different from the data and unit of the GUI.   So,  how to print the same data to the GUI,  or  how to change the printed data?

Thank you
« Last Edit: Yesterday at 11:21 by Roc2019 »

Offline Tue Gunst

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Re: optical spectrum
« Reply #4 on: Today at 12:30 »
Hi,
The output is given as a physical quantity.
This is a class defined with units, which can be converted by request by QuantumATK.
You can use the result.inUnitsOf(...) function to do this.
Please refer to this link for available units and functionality:
https://docs.quantumatk.com/manual/includes/PhysicalQuantity.html