Thanks. ________________________________ 发件人: users <[email protected]> 代表 Isaiah Moses <[email protected]> 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 <[email protected]<mailto:[email protected]> 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 _______________________________________________ users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users
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