MedeA VTST -reg

Vasp transition state theory tools

Moderator: moderators

Post Reply
kishoremayur
Posts: 3
Joined: Mon Feb 29, 2016 4:41 am

MedeA VTST -reg

Post by kishoremayur »

Hi all,
I am using VASP in MedeA interface with Windows OS. I have my initial and final relaxed structures. Apart from limiting the number of images and setting the SPRING value as -5, what things I need to take care additionally while running a NEB calculation ?



Thanks & Regards
graeme
Site Admin
Posts: 1999
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Re: MedeA VTST -reg

Post by graeme »

I have never actually used MedeA; I think your question is better suited for the MedeA or vasp developers.
kishoremayur
Posts: 3
Joined: Mon Feb 29, 2016 4:41 am

Re: MedeA VTST -reg

Post by kishoremayur »

thanks Professor
Post Reply