[Pw_forum] Reg: convergence of phonon

Aaditya Manjanath aadipotter at gmail.com
Tue Mar 26 12:26:15 CET 2013


Dear Swetarekha,

You will have to set the niter_ph tag manually.

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PH.html

Cheers


-- Message: 1
Date: Mon, 25 Mar 2013 16:54:02 +0530
From: Swetarekha Ram <swetarekharam at gmail.com>
Subject: [Pw_forum] Reg: convergence of phonon
To: pw_forum at pwscf.org
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        <CAFsnUVaaiZa2zkP+qNr5scOZHj6GtNK=iSy9bWs+WQCPwiyXzA at mail.gmail.com>
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Dear users

 I am doing the phonon calculation, but in some q-point grid it did not
converge till 100 iteration.
Can any one tell, where to increase the number of iteration.

Thanking You,

--
Swetarekha Ram,
Research Scholar,
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"Stay hungry. Stay Foolish" - Steve Jobs

Om Sri Sairam
Best Regards,
Aaditya Manjanath
PhD Engineering Programme
Interdisciplinary Program - Nanoscience and Engineering
Indian Institute of Science
Bangalore - 560012

Webpage - http://mrc.iisc.ernet.in/~abhishek/Aaditya.html
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