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:"[email protected]" <[email protected]>
发送时间:2017-01-07 16:50:25 (星期六)
收件人: pw_forum <[email protected]>
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
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