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documentation:language_reference:functions:newtightbinding [2025/01/21 08:28] – Maurits W. Haverkortdocumentation:language_reference:functions:newtightbinding [2025/01/21 08:28] (current) – Maurits W. Haverkort
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   * Hopping: {}   * Hopping: {}
  
-The Name is a string one can choose for printing +  * The Name is a string one can choose for printing 
-The Cell is the unit cell in real-space (R)usedforthecalculation.TheunitsaredefinedinunitsandcanbeAngstrom,BohrRadiusornanometer.TheReciprocalcell(G)iscalculatedautomaticallyfromthereal−spacecellandwecandefineitsunitssuchthatR \cdot G = 2 \piorR \cdot G = 1$. +  * The Cell is the unit cell in real-space ($R$) used for the calculation. The units are defined in units and can be Angstrom, BohrRadius or nanometer. The Reciprocal cell (G) is calculated automatically from the real-space cell and we can define its units such that R⋅G=2π or R⋅G=1. 
-Atoms is a list defining the atom names, positions, shell names per atom and orbital names per shell. Atom positions can be given in absolute positions (same units as the Cell in Cartesian coordinates) or using the Cell parameters, as defined in units. +  * Atoms is a list defining the atom names, positions, shell names per atom and orbital names per shell. Atom positions can be given in absolute positions (same units as the Cell in Cartesian coordinates) or using the Cell parameters, as defined in units. 
-The Hopping contains a table defining the hopping between shells at different atoms and cells.+  * The Hopping contains a table defining the hopping between shells at different atoms and cells.
  
 //NewTightBinding()// defines an empty tight binding object, its properties can be set by setting the properties of the created object.  //NewTightBinding()// defines an empty tight binding object, its properties can be set by setting the properties of the created object. 

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