[QE-users] Different phonon frequencies at Gamma point via q2r.x + dynmat.x and matdyn.x calculation.

[Paolo Giannozzi]

On Thu, Feb 3, 2022 at 10:44 AM <zhishuohuang at gmail.com> wrote:

     A direction for q was not specified:TO-LO splitting will be absent
>

This explains the "discrepancy"

Paol
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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