QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: manishk19 on February 18, 2018, 19:10

Title: vacuum
Post by: manishk19 on February 18, 2018, 19:10

Sir,
please tell me how to introduce vaccum to avoid artificial inter-ribbon interactions in nanoribbon.

Title: Re: vacuum
Post by: Jess Wellendorff on February 19, 2018, 00:05

In the Builder, use the Lattice Parameters tool to increase the length of the appropriate lattice vector (most likely C).

Title: Re: vacuum
Post by: manishk19 on February 19, 2018, 14:07

how is cell padding is used for vacuum

Title: Re: vacuum
Post by: Petr Khomyakov on February 19, 2018, 16:03

When increasing the lattice parameter (keeping atomic coordinates in Cartesian), you add the vacuum to the system. I suppose that what you call "cell padding" is the vacuum.