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Ching Siong Yap
@ 05:19 PM
on 23 Jul 2011
Question on SIESTA
For the surface type system, in the Coordinates (Cartesian field), what does the 4 values above the Number of Atoms represent?
@ 05:54 PM
on 24 Jul 2011
Those are the 2D lattice vectors, i.e.
The out-of-plane lattice constant is set in its own field above.
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