GROUP THEORY SYMBOL
GTTbSymmetrySingleBand
GTTbSymmetrySingleBand[eigenvector,orbitals, character table] performs the symmetry analysis for the band defined by the eigenvector. The point group of the system has character table. orbitals are the cartesian real spherical harmonics with respect to the basis set of the calculation.
DetailsDetails
- The following ooptions can be used
-
GOVerbose False GOSpinOrbit False - See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.6
The descripten has to be completed.
ExamplesExamplesopen allclose all
Basic Examples (1)Basic Examples (1)
In[1]:= |
In[2]:= |
The symmetry group at X is D4h. Thus we need the corresponding character table.
The list of orbitals is given by
In[8]:= |