optical spectrum

[Roc2019]

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

[Tue Gunst]

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.

[Roc2019]

Thank you Dr. Gunst

[Roc2019]

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

[Tue Gunst]

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

[Roc2019]

Thank you Dr. Gunst