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get_s producing super large overlap matrix failed #6730

@JTaozhang

Description

@JTaozhang

Describe the bug

Hi there,

I have a system which have around 12w atoms. I just want to produce the overlap matrix. It works initially. and the overlap matrix is sucessfully created. But when I open the overlap lap matrix, I found the total number of effective matrix element is a negative number for R=[0,0,0] matrix, according to the format of overlap matrix. I think it is due to the overflow of integer number. moreover, I found some elements can't be reached, for example, in R[0,0,0], the matrix elements of [631800:631813,0:13] can not be found.

could you help me to check this problem?

you can barely take out the R[0,0,0] matrix and check those matrix elements, I mentioned here.

Best,
Tao

Expected behavior

abacus produce complete overlap matrix

large_overlap.zip

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