| Re: NEB simulation ( No.1 )|
- Date: 2020/01/29 10:21
- Name: T. Ozaki
Are you really sure that your error message is correct?
>Error: "A common unit cell for two same terminal structures have to be specified"
In Vers. 3.7, 3.8, and 3.9, one can see the following similar error message:
"A common unit cell for two terminal structures has to be specified."
which appears when the keyword: Atoms.Unitvectors is not specified in the input file.
However, "A common unit cell for two same terminal structures have to be specified" never appears.
I do not have any trouble with C2H4_NEB.dat in Ver. 3.9.
Please check your input file.
| Re: NEB simulation ( No.2 )|
- Date: 2020/01/30 21:00
- Name: Yuki Kamikawa
- Dear Prof. Ozaki
I'm sorry for making a premitive question.
The error was resolved by setteing the atoms unitvectors properly as you suggested.
I grealy appreciate for your reply in your busy schedule.