We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
您好开发者, 非常感谢您能开发这款方便的工具,有一个疑问就是如何快速分别地计算带有自旋极化的态密度积分数值(如下图,分别计算up和down的积分),并且计算出他们的d-band center,另外如何进行一个选定区域的积分态密度计算(如-1~0eV区域)。 是否需要重新编写脚本呢,还是可以在vaspy自带功能框架下实现?谢谢!!
The text was updated successfully, but these errors were encountered:
No branches or pull requests
您好开发者,
非常感谢您能开发这款方便的工具,有一个疑问就是如何快速分别地计算带有自旋极化的态密度积分数值(如下图,分别计算up和down的积分),并且计算出他们的d-band center,另外如何进行一个选定区域的积分态密度计算(如-1~0eV区域)。
是否需要重新编写脚本呢,还是可以在vaspy自带功能框架下实现?谢谢!!
The text was updated successfully, but these errors were encountered: