[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
Message-ID:
<CAFsnUVaaiZa2zkP+qNr5scOZHj6GtNK=iSy9bWs+WQCPwiyXzA at mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"
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,
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130325/e1746f9c/attachment-0001.html
"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
Email ID - aadipotter at gmail.com, aaditya.m at cense.iisc.ernet.in
Skype - aadipotter
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130326/865c9281/attachment.html>
More information about the users
mailing list