---------- Forwarded message ---------- From: Suchitra Kumari <[email protected]> Date: Thu, Sep 21, 2017 at 11:20 AM Subject: phonon calculation To: Suchitra Kumari <[email protected]>
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
ph.in
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