Search found 2 matches
- Thu Mar 01, 2018 8:51 pm
- Forum: VTSTTools
- Topic: Is there any document for the script
- Replies: 1
- Views: 13797
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.
- Thu Mar 01, 2018 3:50 pm
- Forum: VTSTTools
- Topic: NEB calculations get stuck
- Replies: 0
- Views: 99703
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 ...
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 ...