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Using existing atomic orbital files to perform low precision calculation. #5850

@dongsh0320

Description

@dongsh0320

Describe the Testing Issue

I am trying to use an existing atomic orbital files (download from https://abacus.ustc.edu.cn/pseudo/list.htm) to perform low precision calculation (Part 3.3 in https://mcresearch.github.io/abacus-user-guide/abacus-nac1.html).
I modified the Lmax and each orbital information at the beginning of the file. Several scenarios were tried, but scf calculations could not be performed. (If not modified, the calculation can be performed normally)

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Here, I modified from 3 4 2 2 1,to 3 3 2 2 0,or 2 3 2 2, or 2 3 2 2 0. (I want to use 3s2p2d to calculate.) All of them are failed.

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Here are the result and error.log.
I add a zip attachment if needed.

Low precision322.zip

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