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Examples of the Wannier interface and practical usage issues

Open hwf2002 opened this issue 9 months ago • 3 comments

Describe the Code Quality Issue

https://abacus.deepmodeling.com/en/v3.6.3/advanced/interface/Wannier90.html 这篇文章里面的INPUT文件貌似有问题,部分参数设置恐怕过小,且也未解释清楚.win文件是如何生成的,有哪些注意事项,这一方面https://zhuanlan.zhihu.com/p/11805370373这篇vasp的相关文章可能解释的更加清楚,使得原示例代码难以跑通且迁移性差,希望可以更新example和玻尔上的教程

hwf2002 avatar Mar 28 '25 06:03 hwf2002

Thanks for your comments! We have received your feedbacks and will try to improve the tutorails for Wanneir90. For general purposes, I have translated your Chinese title to English title.

mohanchen avatar Mar 31 '25 01:03 mohanchen

“这篇文章里面的INPUT文件貌似有问题,部分参数设置恐怕过小。” Can you specify which parameter settings are problematic?

jingan-181 avatar Apr 13 '25 07:04 jingan-181

This is a tutorial I wrote for the ABACUS-Wannier90 interface, using Bi2Se3 as an example.

abacus_wannier_tutorial.zip

jingan-181 avatar Apr 13 '25 07:04 jingan-181