I have used the new initial and final states. But the same results appears.
I also linked the vtstcode to vasp again, but vaspvtst can not run.
Attachment is the results.
Search found 2 matches
- Fri Jun 29, 2018 8:32 am
- Forum: VTSTTools
- Topic: neb/cineb calculation problem
- Replies: 3
- Views: 16086
- Sun Jun 17, 2018 12:58 pm
- Forum: VTSTTools
- Topic: neb/cineb calculation problem
- Replies: 3
- Views: 16086
neb/cineb calculation problem
Hello everyone, I used vtst-tool to calculate the diffusion barrier. Nebmake.pl was used to creat one transition state. After calculation finished, the nebresults.pl was used to get the data. But the ‘illegal division by zero at /bin/nebresults.pl line 70.’, ‘mv : can not stat ‘vaspout1.eps’:No such...