Ching Siong Yap @ on
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For the surface type system, in the Coordinates (Cartesian field), what does the 4 values above the Number of Atoms represent?
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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?
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David 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.
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