GTCompatibility

GTCompatibility[group1,group2]
calculates the compatibility relations of two point groups.

DetailsDetails

  • The groups of the wave vector along symmetry lines are subgroups of the corresponding point groups at the symmetry points. For the fcc structure is at Γ but along . Irreducible representations at Γ are reducible along (line ). Degeneracies will be lifted. The compatibility of the irreducible representation of group1 to the irreducible representation of group2 group1 are presented in a table.
  • group1 and group2 can be names of the groups as symbols or strings. The groups will be installed internally for the the calculations. The groups can also be represented by lists.
  • The following options can be given:
  • GOFastGOFastValueSpecifies if the input is validated
    GOIrepNotation"Bethe"Specifies the notation of the irreducible representation
    GOVerboseFalseControls the output of additional information
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.2.2.

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package

In[1]:=
Click for copyable input

Compatibility relations will be only calculated, if one of the groups is a subgroup of the other. Internally the character tables are calculated. This may take some time. If it takes too long time restart helps.

In[2]:=
Click for copyable input

The group subgroup relationship will be checked.

In[3]:=
Click for copyable input

The groups can be defined by a list.

In[4]:=
Click for copyable input
Out[4]=
In[5]:=
Click for copyable input