Dear graeme,
Thank you so much for your response. Yes, I also have realized this problem and found the way to confirm after I submitted the question here. So, the VASP from my former group member which is supposed to have the link to VTST code doesn't have it any more! So, I am recompiling my VASP ...
Search found 2 matches
- Tue Jun 22, 2010 1:01 pm
- Forum: VTSTTools
- Topic: Convergence problem of Cl-NEB calculation
- Replies: 2
- Views: 7131
- Mon Jun 21, 2010 9:35 am
- Forum: VTSTTools
- Topic: Convergence problem of Cl-NEB calculation
- Replies: 2
- Views: 7131
Convergence problem of Cl-NEB calculation
Dear all,
I've been suffering from the convergence problem with Cl-NEB calculation just for a simple system of CO dissociation on Pt(111) surface. I have read some discussions in this issue, but still I can not figure out what is going on with my calculation. It runs for hundreds of ionic steps ...
I've been suffering from the convergence problem with Cl-NEB calculation just for a simple system of CO dissociation on Pt(111) surface. I have read some discussions in this issue, but still I can not figure out what is going on with my calculation. It runs for hundreds of ionic steps ...