How to fix the bond length ?

Vasp transition state theory tools

Moderator: moderators

Post Reply
dwyuan
Posts: 21
Joined: Fri Jun 09, 2006 8:31 pm

How to fix the bond length ?

Post by dwyuan »

Dear all,

I want to calculate a reaction path with fixing bond length method.
How to do it in VASP code?

Thanks !
Top
graeme
Site Admin
Posts: 2290
Joined: Tue Apr 26, 2005 4:25 am
Contact:
Contact graeme

Post by graeme »

There is just no support for fixing bond lengths in vasp. You can only constrain the motion of atoms along the lattice vectors, through the selective dynamics flags in the poscar file.
Top
Post Reply

Return to “VTSTTools”