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ELF.cube outputed by out_elf 1 may contain many NaNs for LTSv3.10.0 and 3.9.0.13 #6545

@ahxbcn

Description

@ahxbcn

Describe the bug

The outputed ELF.cube may contain many NaNs in vacuum, and cannot be properly visualized by VESTA.

The following files are my calculation on single-layer CrCl3.

CrCl3-AFM-LTSv3.10.tar.gz
CrCl3-AFM-3.9.0.13.tar.gz

Expected behavior

ELF.cube contains no NaN

To Reproduce

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Additional Context

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