abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
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CDFT报错 #317

Closed liqiuyua closed 1 month ago

liqiuyua commented 4 months ago

Details

  1. 我的sc.json文件的参数这么设置,程序可以正常运行,如下图所示 截屏2024-04-29 12 01 14

2.2. 但是我对角度参数进行一些更改(如下图所示),程序便不再运行,且爆出如下错误。

截屏2024-04-29 11 59 53 截屏2024-04-29 11 54 58

我的文件在下面 lzq爆错的参数.zip lzq正常运行的参数.zip

Have you read FAQ on the online manual http://abacus.deepmodeling.com/en/latest/community/faq.html

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