diff --git a/pypl/hr_factors.py b/pypl/hr_factors.py index f0e0406..378ca91 100644 --- a/pypl/hr_factors.py +++ b/pypl/hr_factors.py @@ -31,7 +31,7 @@ def __init__(self, freqs, modes, atomic_symbols, mass_list=None): self.nom = freqs.shape[0] self.nom_translational = 3 - self.nom_imag_freq = np.sum(np.where(self.freqs[3:] < 0.0)) + self.nom_imag_freq = int(np.sum(self.freqs[3:] < 0.0)) if self.nom_imag_freq > 0: warnings.warn( f"{self.nom_imag_freq} imaginary mode(s) detected in the phonon spectrum. "