diff --git a/pypl/config_coord_1d_solver.py b/pypl/config_coord_1d_solver.py index 5b575fd..7918527 100644 --- a/pypl/config_coord_1d_solver.py +++ b/pypl/config_coord_1d_solver.py @@ -404,7 +404,7 @@ def compute_spectrum(self, eneaxis=None, linshape=None, tdm=1.0, zpl=0.0, spectr ax.tick_params(direction="in") ax.xaxis.set_ticks_position("both") ax.yaxis.set_ticks_position("both") - ax.set_xlabel("$\hbar\omega$ (eV)") + ax.set_xlabel(r"$\hbar\omega$ (eV)") ax.set_ylabel("PL/Abs (arb. unit.)") plt.show() diff --git a/pypl/hr_factors.py b/pypl/hr_factors.py index f0e0406..f48a3a6 100644 --- a/pypl/hr_factors.py +++ b/pypl/hr_factors.py @@ -220,7 +220,7 @@ def compute_hrf_forces(self, forces): deltaq = deltaq / self.freqs[self.nom_translational + self.nom_imag_freq :] ** 2 print( - "Total \Delta Q is % .12e amu^{0.5} \AA" + r"Total \Delta Q is % .12e amu^{0.5} \AA" % (np.linalg.norm(deltaq) / constants.physical_constants["atomic mass constant"][0] ** 0.5 * 1e10) ) @@ -276,7 +276,7 @@ def compute_hrf_dis(self, gs_coord, es_coord, cell_parameters): deltaq = np.dot(modes[self.nom_translational + self.nom_imag_freq :, :], mass_dis) print( - "Total \Delta Q is % .12e amu^{0.5} \AA" + r"Total \Delta Q is % .12e amu^{0.5} \AA" % (np.linalg.norm(deltaq) / constants.physical_constants["atomic mass constant"][0] ** 0.5 * 1e10) )