i have a 1D structure(Z-periodic), and want to calculate the phonon bandstructure and dos. i set the cell size
vector_a = [15.0, 0.0, 0.0]*Angstrom
vector_b = [0.0, 50.0, 0.0]*Angstrom
vector_c = [0.0, 0.0, 3.30101]*Angstrom
the vector a is set 15, because i have tested 15 angstrom is enough to screen the neighbour interaction
but the output writes:
Phonon: Automatically detected repetitions = [3 1 7]
i think 3 is too big, it should be 1, otherwise, the computational time is long.
the i set the vector a is 50,
but the output is still (3,1,7)
so i am wondering how to set the vector a, and make the auto detected repetitions is (1,1 7)?
ps: the kpoint is:(1,1 5),is it ok?
the exchange_correlation = GGA.PBE
numerical_accuracy_parameters = NumericalAccuracyParameters(
k_point_sampling=(1, 1, 5),
)