Search found 3 matches

by rafaelbna
Wed Dec 02, 2015 2:15 pm
Forum: eOn
Topic: VASP and EON
Replies: 6
Views: 23749

VASP and EON

Dear, My name is Rafael, I am a PhD at the Uppsala University and a new user of EON. I would like to perform some basin hopping calculation with vasp as the potential. However, I am facing some problem. I would really appreciate if you could kindly give me some advices to overcome these issues. I am...
by rafaelbna
Thu Jan 16, 2014 6:39 pm
Forum: VTSTTools
Topic: SS-NEB DEFECTS
Replies: 0
Views: 9293

SS-NEB DEFECTS

Dear all,

I am new in this topic and I would kindly ask you if there exist any physical problem to use SS-NEB to calculate transition state of defects in solids. Indeed, I want to use this method to understand defects diffusion in materials for battery application.

best regards
by rafaelbna
Thu Jan 16, 2014 6:39 pm
Forum: VTSTTools
Topic: SS-NEB DEFECTS
Replies: 0
Views: 8116

SS-NEB DEFECTS

Dear all,

I am new in this topic and I would kindly ask you if there exist any physical problem to use SS-NEB to calculate transition state of defects in solids. Indeed, I want to use this method to understand defects diffusion in materials for battery application.

best regards