[Pw_forum] Phonon frequency calculation from Matdyn.x

[mayank gupta]

Dear Espresso users

I have performed a phonon calculation of an oxides on 2x2x2 q grid.  I am
using q2r.x and matdyn.x to calculate the interpolated phonon frequencies
at other point in Brillouin zone. However I am getting  Max
|d(i,j)-d*(j,i)|/D(i.j) is more than 300%  should I continue with this much
non hermitianty in the dynamical matrix. Kindly suggest me the possible
ways where I can reduce this.


Thanks

--with best regard's

Mayank

 MUMBAI, INDIA
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