Ching Siong Yap @ on
Question on SIESTA
For the surface type system, in the Coordinates (Cartesian field), what does the 4 values above the Number of Atoms represent?
Ching Siong Yap @ on
Question on SIESTA
For the surface type system, in the Coordinates (Cartesian field), what does the 4 values above the Number of Atoms represent?
No other responses made.
0 Like 0 Dislike
David A Strubbe @ on
Those are the 2D lattice vectors, i.e.
a1x a1y a2x a2y
The out-of-plane lattice constant is set in its own field above.
Reply Report abuse
Please login to answer the question.