I know how to calculate dielectric function using Quantum Espresso. It gives a result at 0 K. However, in my research I need a temperature dependent dielectric function. For example, 200K, 300K etc. Can you please suggest to me how I can perform that?
Hi Md. Jahid Hasan Sagor,
Please try to use the cp.x program in the QE package.
You will find the solution by using the CPMD simulation.
@Guanghao Qu Thank you for mentioning that. Do you know any papers/resources so that I can follow it? Which output I will be looking for using cp.x package?
Hi Md. Jahid Hasan Sagor,
Please find this research work. Hope this helps.
Shkrebtii, A.I., Ibrahim, Z.A., Teatro, T., Richter, W., Lee, M.J.G. and Henderson, L. (2010), Theory of the temperature dependent dielectric function of semiconductors: from bulk to surfaces. Application to GaAs and Si. phys. stat. sol. (b), 247: 1881-1888.
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