Solid angle to the unit sphere with center P, which can be calculated as the surface integral: where formula_5 is the unit vector corresponding to formula_6, the position vector of an infinitesimal area of surface with respect to point P, and where formula_7 represents the unit normal vector to . Even if the projection on the unit sphere to the surface S is not isomorphic, the multiple folds are correctly considered according to the surface orientation described by the sign of the scalar product formula_8. Thus one can approximate the solid angle subtended by a small facet having flat surface area ,
Surface energy number of atoms at the surface and in the bulk of the solid. Calculating the surface formation energy of a crystalline solid In density functional theory, surface energy can be calculated from the following expression where formula_17 is the total energy of surface slab obtained using density functional theory. formula_18 is the number of atoms in the surface slab. formula_19 is the bulk energy per atom. formula_6 is the surface area. For a slab, we have two surfaces and they are of the same type, which is reflected by the number 2 in the denominator. To guarantee this, we need