Table 2. Precession electron diffraction simulation times in minutes for Bloch wave, scattering cluster algorithm and multislice methods.

The samples are [001]-TIPS pentacene and rubrene, at two different specimen thicknesses of 500 Å and 1000 Å. Five hundred incident wavevectors were sampled uniformly over the precession cone, which had a 2° precession angle. For the scattering cluster algorithm, simulation times for two different slice thicknesses (i.e. 0.5 Å and 1.0 Å) are presented. The numbers within brackets are the R factors expressed as percentages.

		Scattering cluster algorithm
Sample	Bloch wave	Δz = 0.5 Å	Δz = 1.0 Å	Multislice
TIPS pentacene (500 Å)	24.7	28.7 (1.8%)	14.6 (58.3%)	362.3
TIPS pentacene (1000 Å)	25.5	68.8 (62.5%)	31.6 (∼106%)	703.4
Rubrene (500 Å)	364.4	173.7 (3.9%)	88.3 (3.9%)	368.6
Rubrene (1000 Å)	367.7	349.1 (6.0%)	179.4 (6.1%)	755.2