[QE-users] 答复: Unit of conv_thr

[LEUNG Clarence]

Thanks.
________________________________
发件人: users <users-bounces at lists.quantum-espresso.org> 代表 Isaiah Moses <imoses87 at gmail.com>
发送时间: 2018年11月30日 14:12
收件人: Quantum Espresso users Forum
主题: Re: [QE-users] Unit of conv_thr

Hi,
The unit of the energy being computed is Ry so the convergence should have same unit.
Regards,
Isaiah

On Fri, Nov 30, 2018, 12:57 AM LEUNG Clarence <liangxy123 at hotmail.com<mailto:liangxy123 at hotmail.com> wrote:
Dear QE users,

What is the unit of Convergence threshold for selfconsistency (conv_thr = 1d-06)?
eV? Ry? or arbitrary unit?

Thanks.

LIANG Xiongyi
City University of Hong Kong
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