IRC_DIRECTION
IRC_DIRECTION = -1 | 1
Default: IRC_DIRECTION = 1
Description: IRC_DIRECTION defines direction of the initial displacement (-1|1 – negative|positive) used in IRC calculations. The value of must be from the inverval .
Requests for technical support from the VASP team should be posted in the VASP Forum.
Upcoming workshop on chemical reactions! Go to event.
IRC_DIRECTION = -1 | 1
Default: IRC_DIRECTION = 1
Description: IRC_DIRECTION defines direction of the initial displacement (-1|1 – negative|positive) used in IRC calculations. The value of must be from the inverval .