spin_l_max

This keyword controls the maximum spatial tensor rank used by the spin descriptor:

spin_l_max <l_3body> <l_4body> <l_5body>

The default is 2 0 0. For spin_version 1, l_3body can range from 0 to 2 and the other two values must be zero.

For Spin3, the first value has the following interpretation:

Value

Enabled spatial information

0

scalar and spin-only contractions

1

additionally use vector/rank-1 spin–space contractions

2

additionally use symmetric-traceless rank-2 contractions

This rank cutoff is distinct from spin_order and from the ordinary structural l_max. A typical Spin3 setting is:

spin_l_max 2 0 0