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documentation:language_reference:objects:tightbinding:properties:atoms [2024/09/18 11:49] Sina Shokridocumentation:language_reference:objects:tightbinding:properties:atoms [2024/09/18 14:32] (current) Sina Shokri
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-//TB.Atoms//: a list of atoms, their positions within the unit cell and their atomic shells (spin-orbitals). Each element has the format {Atom.Name, Atom.Position, {Atom.Shells}}. +//TB.Atoms//: a list of atoms, their positions within the unit cell and their atomic shells (spin-orbitals). Each element has the format {Atom.Name, Atom.Position, {Atom.Shells}}. The Atom.Shells can be a list of atomic shell with arbitrary number of orbitals, including or not including spin. For example: {"H", {0,0,0}, { {"s", {"^{dn}", "^{up}"}, {"p",  {"_y^{dn}", "_y^{up}", "_z^{dn}", "_z^{up}", "_x^{dn}", "_x^{up}"} } } } } . 
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