I am investigating the Dielectric response of zirconium, its oxides and silicates. I would like to know if the code incorporates the "drude" contribution of the dielectric response. I have not been able to figure out the equation that is used to calculate the response function. I understand that only interband transitions are considered. Also I would like to know how well the core-level excitations are described.
Many texts treat Longitudinal responses and Transverse responses separately. Does this code incorporate such seperation? Is the response calculated at the long wavelength limit (q=0)?
Kindly let me know.
Thank you.
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The intra-band contribution has been written and tested by Sébastian Lebègue, and seems to work fine. It will be available in the next release (0.9.8x).
Cheers,
Kay.
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
I am investigating the Dielectric response of zirconium, its oxides and silicates. I would like to know if the code incorporates the "drude" contribution of the dielectric response. I have not been able to figure out the equation that is used to calculate the response function. I understand that only interband transitions are considered. Also I would like to know how well the core-level excitations are described.
Many texts treat Longitudinal responses and Transverse responses separately. Does this code incorporate such seperation? Is the response calculated at the long wavelength limit (q=0)?
Kindly let me know.
Thank you.
Hi Ravi,
The intra-band contribution has been written and tested by Sébastian Lebègue, and seems to work fine. It will be available in the next release (0.9.8x).
Cheers,
Kay.