######### get new phonon object ##########
#
import ss_phonopy as ssp
phonon = ssp.calc_phonon(
calc,
phonon,
acoustic_sum_rule=acou_sum_rule,
rot_sum_rule=rot_sum_rule,
r_cut=r_cut,
# F_0_correction=True,
# verbose=True,
# ase_calc=ase_calc,
cp_files=cp_files,
)
if masses is not None:
phonon.masses = masses
if nac:
phonon.dynamical_matrix.show_nac_message()
######### Band structure ##########
from ase.dft.kpoints import ibz_points
# points = ibz_points['orthorhombic']
# G = points['Gamma']
# R = points['R']
# S = points['S']
# T = points['T']
# U = points['U']
# X = points['X']
# Y = points['Y']
# Z = points['Z']
# path = [[G, X], [X, S], [S, Y], [Y, G]]
