[Pw_forum] Fwd: Phonon frequency calculation from Matdyn.x

[mayank gupta]

Dear Users and Developers

Recently I  have performed a phonon calculation on an ZrV2O7 on 2x2x2 q
grid.  I used q2r.x and matdyn.x to calculate the interpolated phonon
frequencies at other q points in Brillouin zone. However I am getting a
message while executing matdyn.x " Max |d(i,j)-d*(j,i)|/D(i.j) " more than
300%  should I continue with this much non-hermitianty in the dynamical
matrix. I googled it but could not et any satisfactory answer. Please guide
me regarding this issue. The interpolated low energy phonon frequency are
how much affect with this.


Thanks

--with best regard

Mayank
Ph.D. Student
Solid State Physics Division
BARC
 MUMBAI, INDIA
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140510/c6a1df0a/attachment.html>