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Hello,
I am wondering if you recommend a code or a script that can plot the vibrational density of states from the frequencies in the OUTCAR file of VASP. I have the frequencies from the OUTCAR put I want to construct a grid to plot the vibrational density of states

Thank you so much for your help.
Best Regards,

email
samehx78@yahoo.com

I recommend to do the following (as suggested eg by Peter Feibelman, Fig 4 in PRB 67, 035420 (2003):
set the intensities of the calculated frequencies 1, fold them with a broadening function, eg. a Gaussian and sum up the resulting intensities)

I'm sorry, but just to clarify.

In this method, are you just taking the calculated frequencies, setting intensity to 1 and half-width to 20 cm-1, then plotting all frequencies (with intensity and width) on one plot?

Is there a theoretical justification for this?

Also, in the paper you mentioned, what was the reason for quartic and cubic fits of the plots?

Thank you,

Aaron