Different phonon dispersion between CSLD ploter and Phonopy used FC from CSLD

[davy12344]

Hi,Dr Zhou

I am trying to use CSLD to extract force constants for ShengBTE to calculate thermal conductivity of CuInTe2. I find a strange problem. CSLD can give a picture of phonon dispersion and it seems to be OK.

**However, when I used csld_main --override '[export_potential] original_shengbte_format=true' --override '[export_potential] export_shengbte=2 2 2 2' --save_pot_step 1 --phonon to export Force constants for the next calculation and use Phonopy to plot phonon dispersion, the strange phonon dispersion occurs as shown below.

I attached the POSCAR(This POSCAR are used for prim = POSCAR) and band.conf used in the Phonopy. Very greateful if you can have a look and give any suggestion. POSCAR: generated by phonopy 1.0 -3.1013563545000000 3.1013563545000000 6.2125988650000021 3.1013563545000000 -3.1013563545000000 6.2125988650000021 3.1013563545000000 3.1013563545000000 -6.2125988650000021 In Cu Te 2 2 4 Direct 0.2499999999999999 0.7500000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.7500000000000000 0.2499999999999999 0.5000000000000000 0.6637674552187247 0.1250000000000000 0.0387674552187249 0.3750000000000000 0.3362325447812752 0.4612325447812752 0.0862325447812751 0.6249999999999999 0.9612325447812752 0.8750000000000000 0.9137674552187248 0.5387674552187249

band.conf: ATOM_NAME=In Cu Te DIM= 2 2 2 BAND=0.5 0.5 -0.5 0 0 0 0.5 0 0 0.5 0.5 0 0.5 0.5 0.5 0.5 0 0.5 BAND_LABELS=PA $\Gamma$ Y X P N READ_FORCE_CONSTANTS = .TRUE. BAND_POINTS =51

Best regards; Yonggheng Li