Symmetry of bands

Symmetric-ridge reconstruction, 240 Symmetry of bands, 145, 442f, 483 Symmetry-breaking transition, on surface, 234 Symmetry forbidden reactions, 39 Symmetry notation for bands, 145 Symmetry points, in Briltouin Zone, 73... 

Evidently the symmetry of band states does not depend on the basis choice for the calculation (LCAO or PW) the change of basis set can only make changes in the relative positions of one-electron energy levels. 

In Figure 2 some of the possible structures for a compound with an empirical formula NSF3 are shown whereas the calculated number and symmetry of bands for the illustrated structures are listed in Table 1. In the infrared spectrum of this compound, six intense bands are found, in agreement with a 3v Structure but certainly not in conflict with other possible structures. It was found that the four bands Vj, Vz, V3 and V5, have P, Q and R branches indicating that the molecule investigated is a symmetric top molecule and supports a 3v Structure. The spectral data are contained in Table 2. 

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