Sample Dealiasing Function File
The following sample .daf file lists the dealiasing set for H and He for a 6‑31G** basis set. Blank lines may be added for readability, and data may be spread over multiple lines.
dafv0300 5 6 <-- number of sets/atom, number of rows/set 3.0 5.0 7.0 9.0 <-- neighbors cutoffs distances (neighbors = row# - 2) BASIS 6-31G** 1 10 2 (H) 0.040634 0.080953 0.161278 0.321306 0.640122 1.275283 2.540684 5.061679 10.084136 1.100000 0 3 3 3 0 0 0 0 0 0 0 0 0 0 7 0 0 5 0 0 0 2 1 0 0 0 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 0 7 0 0 5 0 0 0 2 1 0 0 0 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 3 7 0 0 5 0 0 0 2 1 0 0 3 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 3 7 0 0 5 0 0 0 2 1 0 0 3 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 3 7 0 0 5 0 0 0 2 1 2 0 3 7 3 2 5 0 0 0 2 1 2 0 0 3 0 2 1 0 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 10 2 (He) 0.071497 0.145957 0.297964 0.608279 1.241774 2.535023 5.175131 10.564786 21.567514 1.100000 0 3 3 3 0 0 0 0 0 0 0 0 0 0 7 0 0 5 0 0 0 2 1 0 0 0 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 0 7 0 0 5 0 0 0 2 1 0 0 0 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 3 7 0 0 5 0 0 0 2 1 0 0 3 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 3 7 0 0 5 0 0 0 2 1 0 0 3 7 3 2 5 0 0 0 2 1 0 0 0 3 0 2 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 0 3 7 0 0 5 0 0 0 2 1 2 0 3 7 3 2 5 0 0 0 2 1 2 0 0 3 0 2 1 0 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0