SPIN_TREATMENT (.param)
Keyword type
String
Description
This keyword controls the search method used to locate a transition state:
- NONE (or PAIRED or FALSE) for a non-spin polarized calculation.
- SCALAR (or COLINEAR, COLLINEAR, POLARISED or POLARIZED) for a spin polarized calculation.
- VECTOR (or NONCOLINEAR or NONCOLLINEAR) for a non-collinear spin polarized calculation.
Default
NONE
Example
SPIN_TREATMENT : VECTOR