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SMTG-Bham / ThermoParser

A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
https://smtg-bham.github.io/ThermoParser/
GNU Affero General Public License v3.0
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help for phonon spectral function of single phonon mode #102

Open DFT13 opened 5 months ago

DFT13 commented 5 months ago

Dear kbspooner, I wonder how to plot the frequency-depencent phonon spectral function of single phonon mode, like this, can you give me some suggestions? b3995b528c6e2fe3f5561d335f662a4

kbspooner commented 4 months ago

I suppose that depends on the format of your data. If you can put it into a plain text file of the same format as the phonopy projected_dos.dat it could be plotted fairly directly with ThermoParser, or depending on your confidence with python (or desire to learn) you could write a small function to load it into the ThermoParser format and plot it in the same way. In the latter case I would be happy to incorporate it into this code (and credit you, of course). Hope this helps!