Search found 2 matches

by Zhiqiang Zhang
Thu Mar 01, 2018 8:51 pm
Forum: VTSTTools
Topic: Is there any document for the script
Replies: 1
Views: 8730

Is there any document for the script

There are a lot of scripts for the NEB and post analysis. I am wondering if there is any document about it. I searched on the official website and didn't find it.
by Zhiqiang Zhang
Thu Mar 01, 2018 3:50 pm
Forum: VTSTTools
Topic: NEB calculations get stuck
Replies: 0
Views: 20018

NEB calculations get stuck

Hi, My calculations got stuck in the middle and didn't give me any error information. The last line of my OUTCAR for one image is the following: POTLOK: cpu time 0.0205: real time 0.7274 Then it stops at here. The job is still running but there are no further output for as long as 12 hours. This is ...