[Pw_forum] Fwd: phonon calculation

Suchitra Kumari suchitra.ec08 at gmail.com
Thu Sep 21 07:54:27 CEST 2017


---------- Forwarded message ----------
From: Suchitra Kumari <suchitra at iiita.ac.in>
Date: Thu, Sep 21, 2017 at 11:20 AM
Subject: phonon calculation
To: Suchitra Kumari <suchitra.ec08 at gmail.com>


Dear Sir,

Greetings,

I am looking for phonon calculation for silicon nanowire using QE6.0.
Because of the complex structure and larger number of atoms (64), the
calculation is taking too much time and not converging till the end.
Will there be any extra parameters are to be incorporated for phonon
computations ?
I already got the band structure and DoS for the same.
What the exact things need to define in computations.
here i am attaching the phonon input file.


Regards,
suchitra
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