Table 3.4.12.5

Williams, D. E.

doi:10.1107/97809553602060000562

International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

pdf | chapter contents | chapter index | related articles

International Tables for Crystallography (2006). Vol. B. ch. 3.4, p. 392

Table 3.4.12.5

D. E. Williams^a ^‡

^aDepartment of Chemistry, University of Louisville, Louisville, Kentucky 40292, USA

Table 3.4.12.5 | top | pdf |
Approximate time (s) required to evaluate the dispersion sum ( [n = 6] ) for crystalline benzene within 0.001 kJ mol⁻¹ truncation error

w	Direct terms	Reciprocal terms	Time, direct	Time, reciprocal	Total time
0.0	(not yet converged at 20 Å summation limit)				>107
0.1	15904	0	77	0	77
0.15	4718	34	23	6	29
0.2	2631	78	13	14	27
0.3	1313	246	7	46	53
0.4	524	804	3	149	152