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