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Messages - krzpyrch

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1
Hi,
This topic may sound to be trivial, but after some reading and searching both in forum and documentation, I still not sure if I understand this well.
If we calculate the Optical spectrum object using Quantum ATK we can plot optical properties of it using “Optical Spectrum Analyzer”.
But what exactly this app is showing when, for example, I select the “Refractive Index”? At first, I could assume that “xx” means the coefficient for the radiation incoming from the X direction, but after documentation lookup, I think that way of thinking is wrong.
Now I understand that this is just the nxx(Lambda) is just the n calculated from the dielectric constant tensor first diagonal element. So this will be n for the wave which electric field oscillates only in the X-axis?
Finally, my question is
Is it possible to recalculate this tensor to the n dependence on the direction of propagation of plane electromagnetic wave with specific polarization?

I’m sorry if the question sounds unclear, I was trying to point out all ambiguities.

2
Hi,
I want to calculate the series of dynamical matrixes in QuantumATK (Version Q-2019.12). I thought that this could be achieved by using standard python for loop and looping after parameter, structure, etc.
Unfortunately, this procedure only results in the proper calculation of the first matrix; others are only initialized but not calculated. I attach the sample script in which this problem occurs.
Is it the right way to calculate the dependence of dynamical matrixes on some parameters?
The desired result should be a series of matrixes in one .hdf5 file.

Thank you for any explanation and help.

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