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

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

Table 3.4.12.5 

D. E. Williamsa

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

wDirect termsReciprocal termsTime, directTime, reciprocalTotal 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