[Pw_forum] non degenerate phonon frequency for cubic crystal along 1 0 0
mayank gupta
mayankaditya at gmail.com
Thu May 12 17:43:30 CEST 2011
Thanks Dear Prof. Paolo Giannozzi,
one more thing regarding the same calculation . The phonon frequency
for cubic crystal should have degenerate along [1 0 0] for TA modes,
But i got different frequency. I have calculate the same with larger
value of ecut_rho as well as with higher FFT mesh and still they are
non degenerate.
--
Mayank
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