I am currently trying to calculate the vibrational density of states as well as vibrational spectra for an optimized geometry using VASP, but am still new to the program. I have successfully performed a calculation for vibrational frequencies of the structure using VASP, but the utilities needed to actual plot/calculate what I need for VDOS is unclear.
What utilities do I need for this data? Any download links I've found for Phonopy, a-Climax or similar have been broken.
Thank you in advance for your help!
If you have the spectrum, plotting the VDOS is just a matter of writing a code to convolute it with a smearing function so you don't really need any utilities to do this.
Also, there's a PyPI for phonopy so you can run "pip install phonopy" to install it, I've just done it and it seems to work.
hi i am just new with vibrational DOS , can you help me with it. at first do i need to relax structure for vibrational calculations?
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