GROUP THEORY SYMBOL

GOList

GOList
is an option to decide in which form a Hamiltonian is listed.

DetailsDetails

  • GTHamiltonianList is used to list the analytic form of matrix elements of a Hamiltonian. Instead of the complete Hamiltonian only a part can be listed.
  • Typical settings for GOList are:
  • "All"The complete Hamiltonian is listed
    "NonZero"The complete Hamiltonian is listed, but elements identical zero are discarded.
    "Lower"The complete Hamiltonian is a Hermitian matrix, i.e. it is anough to list the upper part of the matrix. This option list the elements in Slater&Koster style.
  • This option is used by: GTHamiltonianList
  • See: Slater, Koster, Phys. Rev. 94, 1498 (1954)

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

In[1]:=
Click for copyable input

Load the Hamiltonian corresponding to fcc structure and spd basis.

In[2]:=
Click for copyable input

Create a list of names from basis information.

In[3]:=
Click for copyable input
Out[3]=

List the lower part of the Hermitian matrix.

In[4]:=
Click for copyable input

List the complete matrix , but dicard elements equal to zero.

In[5]:=
Click for copyable input

It is possible to list only a part of the Hamiltonian. The name lists have to be changed accordingly.

In[6]:=
Click for copyable input
In[7]:=
Click for copyable input
Top