[Pw_forum] phonon dispersion by using optimized tetrahedron method

Mitsuaki Kawamura mkawamura at issp.u-tokyo.ac.jp
Thu Feb 1 14:40:39 CET 2018

Dear Dr. Enamul Haque


QE v 6.2.1 supports the calculation of the phonon dispersion interpolated from the result of DFPT with the optimized tetrahedron method.

Best regards,
Mitsuaki Kawamura

Dr. Mitsuaki Kawamura
Software Advancement Team
Supercomputer Section
Materials Design and Characterization Laboratory
The Institute for Solid State Physics, Kashiwa, Japan
e-mail : mkawamura at issp.u-tokyo.ac.jp

From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Enamul Haque
Sent: Thursday, February 1, 2018 8:33 PM
To: pw_forum at pwscf.org
Subject: [Pw_forum] phonon dispersion by using optimized tetrahedron method

Dear  PWSCF users 

I  am very interested to calculated the e-ph constant by using both tetrahedron and interpolated method. I can do both task. The problem is that I cannot calculate the phonon dispersion by using tetrahedron method, and I do not find any source to solve this, although I can do this by using interpolated method. Since q2r code does not work in tetrahedron method, how can I run matdyn?

It would be a great pleasure for me if you help me in this regard. 

Thank you for your time!

Best Regards,
Enamul Haque
Dept. of physics
mailto:enamul at mailaps.orgmailto:aps at gmail.com

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