Dear Prof. Giannozzi,
Thank you for your explanation.
Best regards
Zhishuo Huang
From: Paolo Giannozzi
Sent: Thursday, February 3, 2022 6:09 PM
To: Quantum ESPRESSO users Forum
Cc: 黄志硕
Subject: Re: [QE-users] Different phonon frequencies at Gamma point via q2r.x +
dynmat.x and matdyn.x calculation.
On Thu, Feb 3, 2022 at 10:44 AM mailto:zhishuohu...@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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