[QE-users] Doubt regarding the phonon calculations of RbPbI3

[Anupriya Nyayban]

Dear experts and users,

I have used the two set of convergences 1) conv_thr=1.0d-12,
tr2-ph=1.0d-18; and, 2) conv_thr=1.0d-14, tr2-ph=1.0d-20 to calculate the
phonons at gamma point only. The acoustic frequencies (in Hz) for  set 1)
and set 2) are (-0.002956, -0.002296, -0.000000) and (-0.000229, -0.000143,
0.000000), respectively. May I consider these to be dynamically stable.
Your valuable suggestions will help me to solve the problem.

Thank you!!

-- 
With regards
Anupriya Nyayban
Ph.D. Scholar
Department of Physics
NIT Silchar
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