Dear Graeme,
thanks for your quick reply. I have a couple of follow-up questions if I may:
graeme wrote:
> 1) If there are no constraints on the system, it is possible for images to translate
> with respect to one another. This does not nessecarily lead to a problem, but if
> there is a lot of ...
Search found 2 matches
- Wed Sep 28, 2011 7:35 am
- Forum: VTSTTools
- Topic: nebmake.pl
- Replies: 3
- Views: 10081
- Fri Sep 23, 2011 7:34 am
- Forum: VTSTTools
- Topic: nebmake.pl
- Replies: 3
- Views: 10081
nebmake.pl
Hi,
I am doing cNEB calculations with Vasp 5.2 + vtstcode 2.04a of a vacancy diffusing through
a bulk material. I am relaxing all atoms in my system (i.e. no selective dynamics in vasp).
My runs are converging, albeit at a glacial pace. I have a number of questions about nebmake.pl,
because it is ...
I am doing cNEB calculations with Vasp 5.2 + vtstcode 2.04a of a vacancy diffusing through
a bulk material. I am relaxing all atoms in my system (i.e. no selective dynamics in vasp).
My runs are converging, albeit at a glacial pace. I have a number of questions about nebmake.pl,
because it is ...