Hi Alia,

To get the band.dat file from band.yaml, you can use the following command

phonopy-bandplot --gnuplot band.yaml>band.dat

band.dat can be directly plotted in any of the plotting software

Thanks Pradhi Srivastava for your help.

Hi, @Ali Jabeen @Pradhi Srivastava

We can easily draw phonon band structure in origin form .dat file. However, to assign high symmetry points on the horizontal axis, in origin, we need positions of X Gamma R X, etc. From which file we can get these positions in phonon files calculated by VASP.

Thank you so much Saeed Ul Haq Khan for your kind reply. My concern was how to get band.dat file, when the band structure calculation is completed in the VASP manual?

Hi, Alia Jabeen

if you have complication in symmetry position, you can use Vaspkit, by which you can get all your required information. using 305

https://vaspkit.com/tutorials.html

Thank you Muhammad Shafiullah, for your reply. The symmetry optipns are given in calculations, when the calculations are about to start but my concern is how to get the band.dat file, once the calculations are completed?

Thanks and Regards