abelcarreras/DynaPhoPy

Whether the dynaphopy can be applied to calculate the phonon lifetime vs frequency?

Guancred opened this issue · 2 comments

Guancred commented

Hi,
I want to confirm whether the dynaphopy can be applied to calculate the phonon lifetime vs frequency as attached figure?

Thanks,

image

abelcarreras commented

Yes, dynaphopy can calculate phonon linewidths which are the inverse of lifetimes

Guancred commented

Yes, dynaphopy can calculate phonon linewidths which are the inverse of lifetimes

I found it when i conducted the following steps:

  1. dynaphopy -i input XDATCAR
  2. selecting 6 (Renormalized phonon dispersion)
  3. Then, select 4 (Frequency vs linewidth)

Then, some information will show in the screen as the following figure. For my case, for every Q-point, there are 40 peaks during the frequency, so if i want to plot the linewidth vs. frequency, how to collect the data? whether the data can be output with the txt style?

Thanks very much
image