questions on solid state neb

Python framework for working with atomic configurations, potentials, and algorithms.

Moderator: moderators

Post Reply
hummerwjl
Posts: 1
Joined: Tue Sep 03, 2019 9:14 pm

questions on solid state neb

Post by hummerwjl » Wed Sep 04, 2019 1:48 am

Hi all,

I'm working on solid state neb and I've few questions:

1. time step in ssneb is default set at 0.1. I'm wondering is this the time step of translation matrix? What's the physical meaning of it?

2. exts.dat and extsss.dat file are generated by neresults.pl after ssneb calculation, which do not appear in regular neb. Can you please explain each column of the two files?

Best,

Post Reply