Re: [QE-users] error in hp.x

Thank you for the suggestion. Bin 获取 Outlook for iOS 发件人: users 代表 Paolo Giannozzi 发送时间: Friday, November 22, 2019 8:42:34 PM 收件人: Quantum ESPRESSO users Forum 主题: Re: [QE-users] error in hp.x Set the correct symmetry, or switch it off

Re: [QE-users] error in hp.x

Set the correct symmetry, or switch it off Paolo On Fri, Nov 22, 2019 at 1:39 PM Bin Shao wrote: > Dear Paolo, > > How do deal with this error? Switch off the symmetry in the calculation? > > Best, > Bin > > -- > *发件人:* users 代表 Paolo > Giannozzi > *发送时间:* 星期五, 十一月

[QE-users] Images in signature

Please avoid sending large images in signature: your message (and replies to it) may easily exceed the size limit and will be held for moderator approval Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-043

Re: [QE-users] error in hp.x

Dear Paolo, How do deal with this error? Switch off the symmetry in the calculation? Best, Bin 发件人: users 代表 Paolo Giannozzi 发送时间: 星期五, 十一月 22, 2019 20:33 收件人: Quantum ESPRESSO users Forum 主题: Re: [QE-users] error in hp.x This kind of errors is almost invaria

Re: [QE-users] error in hp.x

This kind of errors is almost invariably due to "quasi-symmetric" crystal structures. Paolo On Fri, Nov 22, 2019 at 3:25 AM Bin Shao wrote: > Dear all, > > I would like to learn how to use the hp.x program to calculate Hubbard > parameters. I successfully finished the examples in the tutorial.