schema for species db Species file format reference sp defines the radial part of an atomic wavefunction. This functions used to construct a lapw orbital. The actual basisfunctions for the calculation inside the MT are linear combinations of these and Ylm. energy level of the radial wave function (initial condition for numerical radial Schrodinger equation) if true E0 is optimized to match boundary condtions Aspecies is a Atom type definition containing all information to construcht a lapw basis size and resolution of muffin tin defines apw basis local orbital (APW+lo or LAPW+lo) Chemical Symbol serves a ID (must be uniqe) in case the speciesdef is inside a speciesdb atomic number mass in ? optional element name can contain species definitions