Can I calculate debye temperature with respect to temperature using VASP? I
am not getting it from the VASP wiki. I have calculated specific heat from phonopy, but how do I calculate debye temperature with respect to temperature? Can I calculate it from phonopy code?
Debye temperature with respect to temperature
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Debye temperature with respect to temperature
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Re: Debye temperature with respect to temperature
Dear atul_pandey,
We currently do not have a framework that extracts the Debye temperature. If, however, you have the specific heat as a function of temperature, you might be able to extract the Debye temperature from the low-temperature region. You can find in several textbooks that in this regime CV∼T3/T3D, where CV is the heat capacity and TD the Debye temperature.
Hope this helps. Kind regards,
Pedro
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Re: Debye temperature with respect to temperature
Thank you, sir. We have tried this formula but it is used for only at low temperature.