Hello,
I am working on calculating the phonon dispersion for my system. I am using a 2×2×2 supercell containing 120 atoms, which requires 90 displaced supercells. The finite-difference calculation on VASP using IBRION = 6 tag is time-consuming for a supercell of this size, so I used phelel to split the calculation into individual jobs.
I generated the displaced supercells with phelel and ran each one as a separate VASP calculation using the ELPH_PREPARE = .TRUE. tag and combined the results using phelel to obtain the `phelel_params.hdf5` file.
I understand that in the VASP-only workflow, the force constants can be written to vaspout.h5 and then reused with LPHON_READ_FORCE_CONSTANTS to calculate the phonon dispersion. Since the `phelel_params.hdf5` file generated from the same finite-displacement calculations also contains the information needed for the interatomic force constants, my main question is whether I can use the existing `phelel_params.hdf5` directly to calculate the phonon dispersion, instead of using vaspout.h5.
If this is possible, could you please let me know the appropriate workflow or command for doing this?
Thank you very much for your help!
Best regards,
Saranya