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The only input required is the Schonflies symbol.
The data generated are The 3x3 rotation matrices in a standard axis frame (the highest symmetry axis is the z-axis), all the irreducible representations, the character table, the irreducible representation lables, the group multiplication table, and the list of inverse operators.
The module works by explictly constructing smaller point groups. Larger point groups are constriucted as direct products of the smaller ones.
There is no associated POINTGROUPVEC type; an input data order has not been defined.
Read in the Schoenflies symbol for the pointgroup
Allowed values of the symbol are:
c1 | cs | ci |
c2 | c3 | c4 |
c5 | c6 | c7 |
c8 | c9 | c10 |
c11 | c12 | s2 |
s4 | s6 | s8 |
s10 | s12 | c2h |
c3h | c4h | c5h |
c6h | c7h | c8h |
c9h | c10h | c11h |
c12h | c2v | c3v |
c4v | c5v | c6v |
c7v | c8v | c9v |
c10v | c11v | c12v |
d2 | d3 | d4 |
d5 | d6 | d7 |
d8 | d9 | d10 |
d11 | d12 | d2h |
d3h | d4h | d5h |
d6h | d7h | d8h |
d9h | d10h | d11h |
d12h | d2d | d3d |
d4d | d5d | d6d |
d7d | d8d | d9d |
d10d | d11d | d12d |
cinfv | dinfh | t |
th | td | o |
oh | i | ih |
Equivalent to schoenflies_symbol=
Equivalent to schoenflies_symbol=
Print out information about the POINTGROUP to the stdout file in human readable form