[Pw_forum] diago_david_ndim

[jqli14 at fudan.edu.cn]

Dear Rui,
       It is just the case that only Gamma point is involved. Thank you anyway.

Best regards!
Jiqiang



 
From: Rui Pang
Date: 2017-01-07 23:47
To: PWSCF Forum
Subject: Re: [Pw_forum] diago_david_ndim
Dear Li
I think using -nk is more straight forward, unless you only use very few k points.
Best wishes. 
Pang Rui

-----原始邮件-----
发件人:"jqli14 at fudan.edu.cn" <jqli14 at fudan.edu.cn>
发送时间:2017-01-07 16:50:25 (星期六)
收件人: pw_forum <pw_forum at pwscf.org>
抄送: 
主题: [Pw_forum] diago_david_ndim

Dear QE users,
         In the manual, I found increasing the diago_david_ndim can lead to a faster calculation. Can I obtain a very high speed-up by endlessly increasing the value of diago_david_ndim  as long as the memory of my machine is enough?


Best regards!
Jiqiang Li
Fudan University, China




--
Pang Rui, Lectureer
School of physics and engneering
Zhengzhou University
China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170108/04645fdb/attachment.html>