[Pw_forum] Phonon frequency of Body centred cubic strucure

mayank gupta mayankaditya at gmail.com
Sun May 8 15:07:11 CEST 2011

Dear PWSCF User's,

I am doing phonon calculation of a material having 40 atoms in the
unit cell and BCC structure. The phonon frequncy which should be
degenerate are not coming out exactly degenerate, like transverse
acoustic mode along 100 direction having frequency   0.44579   and
0.54478 Thz while they should have equal frequency. what should be the
error which I made kindly suggest me. thanks in Advance.

Mayank gupta

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