,
I hope this email finds you well. I am a researcher who is currently using Wien2k for electronic structure calculations, and I have encountered an issue that I would like to ask for your help with.
I have calculated the density of states for a compound using Wien2k and would like to investigate how the specific heat of the compound changes with respect to pressure. To do this, I plan to plot the cv/T (Gamma) vs. pressure curve.
However, I have encountered an error in the curve and would like to ask for your advice on how to collect the appropriate data to plot the correct Gamma vs. pressure curve. Specifically, I would appreciate any insights or recommendations on how to calculate the specific heat at different pressure points using Wien2k.
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