Hi VASP users,
I have two questions.
1. NEB requires two minina for input. Can I use two geomery close to minina instead of the exact optimized geometies?
2. For Dimer method. which directory helds the output of the TS structure, 01 or 02?
Thanks.
Search found 1 match
- Fri Nov 03, 2006 4:20 am
- Forum: VTSTTools
- Topic: NEB and Dimer
- Replies: 6
- Views: 15263