[Wien] error in x wplot -wf

[夏宇阳]

No, i use the latest version,WIEN2k 23.2.

----- 原始邮件 -----
发件人: "Gavin Abo" <gabo13279 at gmail.com>
收件人: "wien" <wien at zeus.theochem.tuwien.ac.at>
发送时间: 星期一, 2024年 4 月 29日 下午 2:23:25
主题: Re: [Wien] error in x wplot -wf

What WIEN2k version?  If you're using a version older than WIEN2k 23.2, 
MAT_TOL could be set as 1e-10_DPk.  It may need relaxed to 1e-8_DPk or 
1e-6_DPk.  Refer to [1].

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19093.html

On 4/28/2024 9:14 PM, 夏宇阳 wrote:
> Dear all,
>
> When i use 'x wplot -wf 1' in wien2wannier, an error came out:
>
> Local rotation matrix not orthogonal
>
> i use the template, case.inwplot. what should i edit it?
>
> Looking for your reply.
>
> With regards!
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