about DRotMax

Vasp transition state theory tools

Moderator: moderators

Post Reply
lgxyz
Posts: 51
Joined: Tue Sep 07, 2010 1:52 pm

about DRotMax

Post by lgxyz »

Dear all,
The default value of DRotMax is 4, while in this page(http://theory.cm.utexas.edu/vtsttools/dimer/) it was set to 1.
Any suggestion? Many thanks!
Top
Post Reply

Return to “VTSTTools”