[Pw_forum] symmetry problem with Si lattice

Ezad Shojaee ezadshojaee at hotmail.com
Tue Nov 27 15:11:41 CET 2007


Hi
in order to have the Gamma-point phonon frequencies, if we use the SC lattice schemma for Si, it seems that we have frequencies rather diffrerent from the FCC schemma. What do you expect of the irreps and the symmetries of the modes(and also their number) of SC schemma with 8-atom basis comparing to the FCC one(with 2 atoms per basis)? what should be the same in two shemmas?
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