pyw90程序：wannier90投影分析和完全自动的dis能量窗口优化

确定Wannier90能量窗口的脚本

pyw90程序功能：

Display the distribution of eigenvalues.Pre-analysis before the Wannier90 interpolation with projection and dis energy window recommendations.Auto Wannier90 Fit. Using minimization method to choose the most appropriate dis energy windows.Comparison. Evaluate the differences between the VASP and Wannier90 band structure.

pyw90程序安装：

pip install pyw90# update the packagepip install pyw90 --upgrade

pyw90程序使用：

usage: pyw90 [-h] {eig,pre,auto,cmp} ...Command-line toolbox interfaced between VASP and Wannier90. You can also use -hto display the submenu help message. e.g., pyw90 pre -hpositional arguments: {eig,pre,auto,cmp} Menus eig Display the distribution of eigenvalues and dis energy window recommendations. pre (Pre)-analysis before `Wannier90` interpolation: generation of `Wannier90` input and improved dis energy window recommendations based on projected density of states. auto (Auto Wannier90 Fit) Using minimization method to choose the most appropriate dis energy windows. cmp (Comparison) Evaluate the differences between the `VASP` and `Wannier90` band structure.`bnd.dat` for VASP band data in `p4vasp` format and `wannier90_band.dat`, `wannier90_band.labelinfo.dat`,and `wannier90.wout` are required for plotting and analysis.optional arguments: -h, --help show this help message and exit

pyw90程序下载：

https://github.com/Cloudiiink/pyw90