ReducedCoordinates

ReducedCoordinates

Section System::Coordinates
Type block

This block gives the atomic coordinates relative to the real space unit cell. The format is the same as the Coordinates block.

Note that in Octopus the origin of coordinates is in the center of the cell, so the coordinates inside the cell are in the range [-0.5, 0.5).

This block cannot be used with the minimum box shape.