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

Reply via email to