Skip to content

SED tutorial

Hi all,

In the SED tutorial, an orthogonal graphene supercell was used for MD simulation and output trajectories. But a triclinic cell is used as a primitive cell, and then the mapping of the supercell is carried out.

Does this apply if I use a triclinic supercell for MD simulation? SED-MD simulation only use orthogonal cells?

Thanks.

Best, Ting

To upload designs, you'll need to enable LFS and have an admin enable hashed storage. More information