ISIF
ISIF = 0 | 1 | 2 | 3 | 5 | 6
| Default: ISIF | = 0 | for IBRION=0 (molecular dynamics) |
| = 2 | else |
Description: ISIF determines whether the stress tensor is calculated and which principal degrees-of-freedom are allowed to change in relaxation and molecular dynamics runs.
Related Tags and Sections
IBRION, ISIF, LEPSILON, LCALCEPS