GroupTheory`
GroupTheory`

GOTbEquivalence

GOTbEquivalence

is an option which decides whether equivalent atoms in a basis should be renamed.

Details and Options

  • In a construction of a tight-binding Hamiltonian it is necessary to consider the equivalent basis atoms as inequivalent. At the end they will be set equivalent again to reduce the number of tight-binding parameters.
  • Typical settings for GOTbEquivalence are:
  • Trueno consideration of equivalent atoms in the basis.
    Falseequivalent basis atoms get temporary different

Examples

Basic Examples  (1)

First load the package:

In the diamond structure there are two equivalent atoms in the basis set. With GOTbEquivalence the reuivalent atom sorts get different names.