diff --git a/doc/source/tutorials/RhO/RhO.py b/doc/source/tutorials/RhO/RhO.py index 90c8e46..0817b27 100644 --- a/doc/source/tutorials/RhO/RhO.py +++ b/doc/source/tutorials/RhO/RhO.py @@ -18,7 +18,8 @@ for zi, z0 in enumerate(all_z): calc.set_atoms(cluster) # Compute - data = calc.get_theta_phi_scan(level='1s', kinetic_energy=723, data=data) + data = calc.get_theta_phi_scan(level='1s', kinetic_energy=723, data=data, + malloc={'NPH_M': 8000}) dset = data[-1] dset.title = "{:d}) z = {:.2f} angstroms".format(zi, z0)