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 ...
Search found 3 matches
- Wed Dec 02, 2015 2:15 pm
- Forum: eOn
- Topic: VASP and EON
- Replies: 6
- Views: 87405
- Thu Jan 16, 2014 6:39 pm
- Forum: VTSTTools
- Topic: SS-NEB DEFECTS
- Replies: 0
- Views: 18909
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
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
- Thu Jan 16, 2014 6:39 pm
- Forum: VTSTTools
- Topic: SS-NEB DEFECTS
- Replies: 0
- Views: 15790
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
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