QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: zuriana auzar on November 18, 2014, 09:35

Title: divacancy defect
Post by: zuriana auzar on November 18, 2014, 09:35

hi alls, i need to construct divancy defect on graphene nanoribbon.
i got some problems to connect C-C bond atom when the length between them is larger than 1.42A
i attached my construction to view my problem

Title: Re: divacancy defect
Post by: Anders Blom on November 18, 2014, 22:51

I think I have answered this question 100 times already... Bonds don't matter, only atom positions are used for calculations in ATK.