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Question about reading openmx.sccfout
Date: 2024/08/29 16:32
Name:
LZX
<
171830553@smail.nju.edu.cn
>
Hello Team,
I am not entirely sure about the "global index" variable in the "scfout" file, is it the same order as specificated by "Atoms.SpeciesAndCoordinates" in the input file?
Regards,
LZX
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Re: Question about reading openmx.sccfout
( No.1 )
Date: 2024/08/30 15:01
Name:
Naoya Yamaguchi
Hi,
Yes, you are right.
Regards,
Naoya Yamaguchi
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Question about reading openmx.sccfout
Re: Question about reading openmx.sccfout