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. 2015 Jul 14;143(2):024113. doi: 10.1063/1.4923369

TABLE III.

Contribution of various steps to overall occ-RI-K wall-time for two systems and basis sets. Disk reads/writes are included in overall times for various steps, though their contribution is minor. An integral threshold of 10−10 was employed in both calculations. The total number of basis functions was 3510 and 4088, respectively.

C30H62/cc-pVQZ C70H142/cc-pVTZ
Step Time (s) % of total Time (s) % of total
Calculate μλ|P 955 26 1090 8
μj|P=λμλ|Pcjλ 1686 46 4294 33
ij|P=μμj|Pcjμ 174 5 1419 11
CQij=Pij|PP|Q1 267 7 3483 27
Kiν=jQCQijνj|Q 224 6 1524 12
Speedup relative to RI-K 3.6 × 5.0 ×